Found 488 hits of ic50 for UniProtKB: P08709 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119052
(Biotinylated E-76 peptide analogue | CHEMBL269354)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(o1)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C107H145N29O31S2/c1-8-54(6)87-104(163)129-72(47-85(145)146)96(155)120-63(24-16-38-115-106(111)112)90(149)127-70(44-58-48-117-62-23-14-12-21-60(58)62)95(154)126-68(43-57-28-30-59(137)31-29-57)94(153)132-74(99(158)121-66(32-36-80(108)138)91(150)125-69(42-56-19-10-9-11-20-56)98(157)133-86(53(4)5)103(162)123-65(33-37-83(141)142)89(148)118-49-82(110)140)50-168-169-51-75(131-93(152)67(41-52(2)3)124-88(147)55(7)119-102(161)79-35-34-78(167-79)61-22-13-15-26-76(61)136(165)166)100(159)128-71(46-84(143)144)97(156)130-73(45-81(109)139)105(164)135-40-18-27-77(135)101(160)122-64(92(151)134-87)25-17-39-116-107(113)114/h9-15,19-23,26,28-31,34-35,48,52-55,63-75,77,86-87,117H,8,16-18,24-25,27,32-33,36-47,49-51H2,1-7H3,(H35,108,109,110,111,112,113,114,115,116,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163)/t54-,55-,63+,64-,65-,66-,67-,68+,69-,70-,71+,72-,73-,74+,75+,77+,86-,87+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119057
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C110H151N29O31S3/c1-8-57(6)91-107(167)132-77(50-89(150)151)100(160)123-68(25-16-40-118-109(114)115)94(154)130-75(47-63-51-120-67-24-15-14-23-66(63)67)99(159)129-73(45-60-28-31-64(140)32-29-60)98(158)135-79(103(163)124-71(34-36-82(111)141)95(155)128-74(44-59-19-10-9-11-20-59)102(162)136-90(56(4)5)106(166)126-70(35-39-87(146)147)93(153)121-52-84(113)143)53-171-172-54-80(134-97(157)72(43-55(2)3)127-92(152)58(7)122-85(144)37-38-86(145)138-173(169,170)65-33-30-61-21-12-13-22-62(61)46-65)104(164)131-76(49-88(148)149)101(161)133-78(48-83(112)142)108(168)139-42-18-27-81(139)105(165)125-69(96(156)137-91)26-17-41-119-110(116)117/h9-15,19-24,28-33,46,51,55-58,68-81,90-91,120,140H,8,16-18,25-27,34-45,47-50,52-54H2,1-7H3,(H2,111,141)(H2,112,142)(H2,113,143)(H,121,153)(H,122,144)(H,123,160)(H,124,163)(H,125,165)(H,126,166)(H,127,152)(H,128,155)(H,129,159)(H,130,154)(H,131,164)(H,132,167)(H,133,161)(H,134,157)(H,135,158)(H,136,162)(H,137,156)(H,138,145)(H,146,147)(H,148,149)(H,150,151)(H4,114,115,118)(H4,116,117,119)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,90-,91+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119050
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50326044
((2S,5S,8R,11S,14S,17S,20S,23S,26R,29S,32S,35S,38S,...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:44.46,78.83,8.8,98.103,21.33,57.58,114.119,77.80,129.134,wD:84.87,4.4,107.112,35.42,108.115,120.125,63.64,12.17,(10.8,-38.91,;10.78,-37.37,;12.1,-36.58,;9.43,-36.62,;9.4,-35.08,;8.05,-34.35,;6.73,-35.14,;6.75,-36.68,;5.38,-34.39,;4.06,-35.18,;2.73,-34.41,;2.7,-32.87,;1.4,-35.2,;1.43,-36.74,;2.78,-37.49,;2.8,-39.03,;1.45,-39.83,;4.15,-39.78,;.06,-34.45,;-1.27,-35.24,;-1.24,-36.78,;-2.61,-34.49,;-2.64,-32.95,;-1.41,-32.02,;-.16,-32.92,;1.07,-32,;.59,-30.54,;1.35,-29.19,;.57,-27.87,;-.98,-27.88,;-1.73,-29.22,;-.95,-30.55,;-3.93,-35.29,;-5.27,-34.53,;-5.3,-32.99,;-6.6,-35.32,;-6.57,-36.86,;-5.22,-37.61,;-5.2,-39.14,;-6.53,-39.94,;-3.86,-39.9,;-7.95,-34.58,;-9.27,-35.37,;-9.25,-36.91,;-10.62,-34.62,;-11.94,-35.41,;-10.64,-33.08,;-9.32,-32.29,;-9.34,-30.75,;-10.69,-30,;-8.02,-29.96,;5.36,-32.85,;6.68,-32.05,;4.02,-32.1,;10.73,-34.29,;10.7,-32.75,;12.07,-35.05,;13.39,-34.26,;13.37,-32.72,;14.69,-31.93,;14.74,-35.01,;14.76,-36.55,;16.05,-34.22,;17.4,-34.95,;17.43,-36.5,;18.67,-37.41,;19.89,-36.48,;21.16,-37.36,;20.71,-38.84,;21.51,-40.15,;20.77,-41.5,;19.23,-41.53,;18.43,-40.22,;19.18,-38.86,;18.73,-34.17,;18.71,-32.63,;20.08,-34.92,;21.4,-34.12,;21.38,-32.58,;20.03,-31.83,;22.66,-31.81,;22.74,-34.87,;22.77,-36.41,;24.06,-34.07,;25.41,-34.81,;25.43,-36.35,;26.69,-37.24,;27.94,-36.36,;29.17,-37.28,;28.67,-38.74,;29.42,-40.09,;28.63,-41.41,;27.09,-41.39,;26.34,-40.03,;27.14,-38.72,;26.73,-34.01,;26.71,-32.47,;28.06,-34.79,;29.38,-33.99,;29.36,-32.45,;30.68,-31.66,;30.66,-30.12,;29.29,-29.38,;31.98,-29.33,;30.73,-34.74,;30.76,-36.28,;32.05,-33.95,;33.41,-34.68,;33.43,-36.22,;32.11,-37.02,;34.75,-36.98,;34.73,-33.89,;34.71,-32.35,;36.06,-34.66,;37.38,-33.86,;37.36,-32.33,;38.68,-31.53,;38.73,-34.61,;38.76,-36.15,;40.05,-33.82,;41.4,-34.56,;41.43,-36.1,;42.78,-36.86,;42.8,-38.4,;41.46,-39.18,;44.14,-39.14,;42.73,-33.78,;42.7,-32.24,;44.07,-34.52,;45.39,-33.73,;45.37,-32.19,;46.7,-31.4,;46.67,-29.86,;47.99,-29.07,;47.97,-27.53,;46.61,-26.78,;49.29,-26.74,;46.74,-34.48,;48.06,-33.69,;46.77,-36.02,)| Show InChI InChI=1S/C89H123N21O28S2/c1-41(2)32-60(104-85(134)71(42(3)4)108-77(126)57(24-29-69(119)120)98-80(129)61(33-45-36-94-52-17-10-7-14-48(45)52)102-76(125)55(22-27-67(115)116)97-74(123)51(90)21-26-66(113)114)79(128)106-64(39-139)84(133)103-63(35-47-38-96-54-19-12-9-16-50(47)54)82(131)110-72(43(5)111)86(135)105-62(34-46-37-95-53-18-11-8-15-49(46)53)81(130)99-58(25-30-70(121)122)78(127)109-73(44(6)112)87(136)107-65(40-140)83(132)100-56(23-28-68(117)118)75(124)101-59(88(137)138)20-13-31-93-89(91)92/h7-12,14-19,36-38,41-44,51,55-65,71-73,94-96,111-112,139-140H,13,20-35,39-40,90H2,1-6H3,(H,97,123)(H,98,129)(H,99,130)(H,100,132)(H,101,124)(H,102,125)(H,103,133)(H,104,134)(H,105,135)(H,106,128)(H,107,136)(H,108,126)(H,109,127)(H,110,131)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,137,138)(H4,91,92,93)/t43-,44-,51+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,71+,72+,73+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Molecular Biology, Medical Research Council
Curated by ChEMBL
| Assay Description
Binding affinity to tissue factor/factor 7a |
Nat Chem Biol 5: 502-7 (2009)
Article DOI: 10.1038/nchembio.184
BindingDB Entry DOI: 10.7270/Q2Z60P9P |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119049
(Biotinylated E-76 peptide analogue | CHEMBL439285)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NCc1cccc2ccccc12 Show InChI InChI=1S/C107H148N28O27S2/c1-8-56(6)88-104(161)129-76(48-86(144)145)97(154)120-67(28-17-39-115-106(111)112)91(148)127-74(45-62-50-118-66-27-15-14-26-65(62)66)96(153)126-72(44-59-31-33-63(136)34-32-59)95(152)132-78(100(157)121-70(35-37-81(108)137)92(149)125-73(43-58-20-10-9-11-21-58)99(156)133-87(55(4)5)103(160)123-69(36-38-84(140)141)90(147)119-51-83(110)139)52-163-164-53-79(131-94(151)71(42-54(2)3)124-89(146)57(7)117-49-61-24-16-23-60-22-12-13-25-64(60)61)101(158)128-75(47-85(142)143)98(155)130-77(46-82(109)138)105(162)135-41-19-30-80(135)102(159)122-68(93(150)134-88)29-18-40-116-107(113)114/h9-16,20-27,31-34,50,54-57,67-80,87-88,117-118,136H,8,17-19,28-30,35-49,51-53H2,1-7H3,(H2,108,137)(H2,109,138)(H2,110,139)(H,119,147)(H,120,154)(H,121,157)(H,122,159)(H,123,160)(H,124,146)(H,125,149)(H,126,153)(H,127,148)(H,128,158)(H,129,161)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,150)(H,140,141)(H,142,143)(H,144,145)(H4,111,112,115)(H4,113,114,116)/t56-,57-,67+,68-,69-,70-,71-,72+,73-,74-,75+,76-,77-,78+,79+,80+,87-,88+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50167837
(3-Amino-N-((R)-sec-butyl)-5-{1-[(4-carbamimidoyl-b...)Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H36N8O3/c1-5-17(4)35-27(38)21-10-20(11-22(29)12-21)23-14-33-26(34-16(2)3)28(39)36(23)15-24(37)32-13-18-6-8-19(9-7-18)25(30)31/h6-12,14,16-17H,5,13,15,29H2,1-4H3,(H3,30,31)(H,32,37)(H,33,34)(H,35,38)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Corp.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Coagulation factor VIIa |
Bioorg Med Chem Lett 15: 3006-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119048
(Biotinylated E-76 peptide analogue | CHEMBL437872)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C)c1 Show InChI InChI=1S/C104H147N29O28S2/c1-9-54(7)84-100(159)127-72(46-82(142)143)93(152)118-63(25-16-36-112-102(108)109)87(146)125-70(43-58-47-114-62-24-14-13-23-61(58)62)92(151)124-68(42-57-28-30-60(134)31-29-57)91(150)130-74(96(155)119-66(32-34-77(105)135)88(147)123-69(41-56-20-11-10-12-21-56)95(154)131-83(52(4)5)99(158)121-65(33-35-80(138)139)86(145)115-48-79(107)137)49-162-163-50-75(129-90(149)67(39-51(2)3)122-85(144)55(8)116-104(161)117-59-22-15-19-53(6)40-59)97(156)126-71(45-81(140)141)94(153)128-73(44-78(106)136)101(160)133-38-18-27-76(133)98(157)120-64(89(148)132-84)26-17-37-113-103(110)111/h10-15,19-24,28-31,40,47,51-52,54-55,63-76,83-84,114,134H,9,16-18,25-27,32-39,41-46,48-50H2,1-8H3,(H2,105,135)(H2,106,136)(H2,107,137)(H,115,145)(H,118,152)(H,119,155)(H,120,157)(H,121,158)(H,122,144)(H,123,147)(H,124,151)(H,125,146)(H,126,156)(H,127,159)(H,128,153)(H,129,149)(H,130,150)(H,131,154)(H,132,148)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,112)(H4,110,111,113)(H2,116,117,161)/t54-,55-,63+,64-,65-,66-,67-,68+,69-,70-,71+,72-,73-,74+,75+,76+,83-,84+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50127212
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)Oc1ccc2ccccc2c1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,83.87,59.63,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-11.7,2.54,;-10.06,1.64,;-11.56,1.31,;-11.73,-.22,;-10.33,-.82,;-9.3,.32,;-8.3,-.84,;-9.39,-1.93,;-7.09,-1.84,;-7.97,-3.09,;-7.3,-4.49,;-8.18,-5.76,;-5.73,-4.6,;-5.75,-2.58,;-4.29,-3.07,;-4.66,-4.56,;-2.75,-3.3,;-2.85,-4.83,;-1.57,-5.69,;-1.65,-7.22,;-.16,-5,;-1.22,-3.26,;.3,-2.93,;.75,-4.39,;1.72,-2.35,;3.04,-1.54,;4.16,-.5,;5.09,.73,;5.78,2.1,;6.2,3.59,;6.38,5.1,;6.25,6.63,;7.78,6.88,;5.88,8.08,;7.32,8.62,;8.42,9.73,;9.94,9.31,;11.03,10.43,;10.61,11.91,;11.72,13,;9.1,12.33,;8.01,11.22,;5.22,9.5,;4.32,10.75,;5.51,11.73,;3.23,11.82,;4.18,13.03,;5.44,13.79,;6.53,12.75,;7.92,13.43,;7.66,14.9,;8.62,16.13,;8.06,17.57,;6.52,17.78,;5.58,16.59,;6.15,15.18,;1.96,12.68,;.53,13.28,;1.04,14.73,;-.95,13.65,;-.73,15.18,;.7,15.73,;.95,17.24,;2.37,17.8,;2.61,19.33,;1.4,20.28,;4.06,19.89,;-2.5,13.74,;-4.03,13.56,;-4.38,15.08,;-5.51,13.13,;-6.09,14.53,;-7.63,14.76,;-8.24,16.17,;-8.65,14.25,;-6.88,12.42,;-8.11,11.47,;-9.16,12.58,;-9.13,10.36,;-10.97,10.01,;-9.95,9.06,;-10.53,7.62,;-12,8.04,;-10.81,6.12,;-12.35,6.28,;-12.96,7.66,;-14.53,7.85,;-15.14,9.22,;-16.68,9.38,;-17.32,10.8,;-17.6,8.15,;-10.85,4.61,;-10.6,3.08,;-12.1,2.71,;-10.39,11.28,;-11.8,10.66,;-10.2,12.79,;-11.42,13.69,;7.73,3.26,;8.22,1.83,;8.75,4.42,;10.26,4.15,;10.77,2.68,;12.27,2.41,;12.79,.94,;11.76,-.22,;14.28,.64,;11.28,5.28,;10.79,6.74,;12.79,4.98,;13.81,6.14,;13.3,7.6,;14.32,8.73,;15.83,8.45,;16.87,9.61,;16.37,11.05,;14.86,11.35,;13.84,10.19,;15.34,5.86,;15.83,4.4,;16.34,7,;17.87,6.7,;18.36,5.26,;19.87,4.96,;17.34,4.1,;18.9,7.85,;18.38,9.29,;20.4,7.57,;21.42,8.71,;20.91,10.17,;21.94,11.31,;21.42,12.77,;19.93,13.05,;22.45,13.92,;22.93,8.41,;23.44,6.98,;23.93,9.57,;25.46,9.27,;26.48,10.43,;27.99,10.12,;25.97,11.89,;2.44,-3.72,;2.4,-5.25,;1.05,-6.02,;3.72,-6.04,;5.34,-5.34,;6.87,-5.58,;7.83,-4.34,;7.43,-6.97,;3.7,-7.57,;5.02,-8.36,;6.37,-7.62,;4.99,-9.89,;3.64,-10.63,;6.32,-10.68,;7.8,-10.29,;8.22,-8.83,;9.2,-10.95,;9.31,-12.48,;10.7,-13.14,;10.82,-14.69,;12.21,-15.35,;12.33,-16.88,;13.72,-17.55,;15.11,-18.22,;14.39,-16.16,;13.06,-18.94,;13.93,-20.21,;15.46,-20.08,;16.34,-21.36,;15.66,-22.75,;16.52,-24,;15.86,-25.38,;14.32,-25.5,;13.47,-24.23,;14.14,-22.86,;13.26,-21.59,)| Show InChI InChI=1S/C112H157N28O32PS2/c1-8-60(6)93-109(167)134-80(53-91(150)151)102(160)125-71(28-19-42-120-111(116)117)96(154)132-78(50-66-54-122-70-27-17-16-26-69(66)70)101(159)131-76(48-63-32-35-67(141)36-33-63)100(158)137-82(105(163)126-74(38-40-85(113)142)97(155)130-77(47-62-22-11-9-12-23-62)104(162)138-92(59(4)5)108(166)128-73(39-41-89(146)147)95(153)123-55-87(115)144)56-174-175-57-83(136-99(157)75(46-58(2)3)129-94(152)61(7)124-88(145)31-13-10-18-45-171-173(169,170)172-68-37-34-64-24-14-15-25-65(64)49-68)106(164)133-79(52-90(148)149)103(161)135-81(51-86(114)143)110(168)140-44-21-30-84(140)107(165)127-72(98(156)139-93)29-20-43-121-112(118)119/h9,11-12,14-17,22-27,32-37,49,54,58-61,71-84,92-93,122,141H,8,10,13,18-21,28-31,38-48,50-53,55-57H2,1-7H3,(H2,113,142)(H2,114,143)(H2,115,144)(H,123,153)(H,124,145)(H,125,160)(H,126,163)(H,127,165)(H,128,166)(H,129,152)(H,130,155)(H,131,159)(H,132,154)(H,133,164)(H,134,167)(H,135,161)(H,136,157)(H,137,158)(H,138,162)(H,139,156)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,116,117,120)(H4,118,119,121)/t60-,61-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50127214
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OCCCCCc1ccccc1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,83.87,59.63,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-17.32,12.85,;-15.69,11.95,;-17.2,11.64,;-17.36,10.11,;-15.95,9.49,;-14.92,10.62,;-13.92,9.46,;-15.02,8.37,;-12.72,8.48,;-13.6,7.24,;-12.92,5.85,;-13.81,4.55,;-11.35,5.71,;-11.37,7.72,;-9.91,7.24,;-10.28,5.75,;-8.38,7.01,;-8.47,5.47,;-7.19,4.62,;-7.26,3.09,;-5.78,5.32,;-6.85,7.05,;-5.31,7.38,;-4.87,5.92,;-3.9,7.95,;-2.57,8.77,;-1.46,9.81,;-.53,11.04,;.17,12.43,;.59,13.9,;.77,15.41,;.64,16.94,;2.17,17.2,;.26,18.42,;1.7,18.94,;2.82,20.06,;2.4,21.54,;3.49,22.66,;5,22.24,;6.12,23.33,;5.42,20.75,;4.33,19.64,;-.39,19.82,;-1.29,21.08,;-.11,22.06,;-2.39,22.15,;-1.41,23.36,;-.18,24.14,;.91,23.08,;2.31,23.77,;2.05,25.26,;3,26.47,;2.45,27.91,;.91,28.13,;-.04,26.93,;.54,25.52,;-3.66,23.01,;-5.08,23.63,;-4.57,25.08,;-6.57,24,;-6.36,25.53,;-4.92,26.07,;-4.66,27.58,;-3.24,28.14,;-3.01,29.68,;-4.22,30.63,;-1.55,30.23,;-8.12,24.09,;-9.66,23.91,;-10.01,25.42,;-11.14,23.47,;-11.72,24.87,;-13.25,25.1,;-13.85,26.52,;-14.27,24.59,;-12.51,22.75,;-13.74,21.81,;-14.78,22.93,;-14.76,20.68,;-16.6,20.35,;-15.57,19.38,;-16.15,17.96,;-17.64,18.36,;-16.43,16.43,;-17.99,16.6,;-18.59,18,;-20.17,18.18,;-20.77,19.55,;-22.31,19.72,;-22.95,21.13,;-23.23,18.48,;-16.46,14.92,;-16.22,13.39,;-17.73,13.02,;-15.99,21.61,;-17.43,20.99,;-15.83,23.12,;-17.06,24.03,;2.12,13.59,;2.61,12.14,;3.14,14.75,;4.65,14.46,;5.17,12.99,;6.68,12.72,;7.19,11.25,;6.16,10.11,;8.67,10.95,;5.68,15.6,;5.19,17.06,;7.19,15.31,;8.21,16.47,;7.7,17.92,;8.72,19.06,;8.23,20.52,;9.25,21.68,;10.76,21.38,;11.28,19.94,;10.23,18.78,;9.74,16.18,;10.23,14.71,;10.74,17.32,;12.27,17.03,;12.76,15.57,;14.3,15.27,;11.74,14.43,;13.3,18.19,;12.79,19.63,;14.81,17.9,;15.83,19.03,;15.32,20.5,;16.34,21.64,;15.83,23.1,;14.34,23.4,;16.85,24.26,;17.34,18.75,;17.85,17.29,;18.34,19.91,;19.87,19.59,;20.89,20.75,;22.4,20.45,;20.38,22.22,;-3.18,6.59,;-3.22,5.06,;-4.57,4.3,;-1.9,4.27,;-.27,4.96,;1.26,4.74,;2.23,5.99,;1.84,3.34,;-1.92,2.73,;-.6,1.94,;.75,2.69,;-.62,.41,;-1.97,-.33,;.7,-.38,;2.21,.02,;2.61,1.49,;3.6,-.64,;3.72,-2.17,;5.11,-2.84,;5.23,-4.38,;6.61,-5.04,;6.74,-6.58,;8.13,-7.25,;9.53,-7.91,;8.79,-5.85,;7.47,-8.64,;8.34,-9.9,;9.87,-9.8,;10.73,-11.07,;12.27,-10.97,;13.13,-12.23,;14.64,-12.11,;15.5,-13.39,;17.03,-13.29,;17.7,-11.9,;16.83,-10.62,;15.31,-10.74,)| Show InChI InChI=1S/C113H165N28O32PS2/c1-8-63(6)94-110(168)135-81(56-92(151)152)103(161)126-72(33-23-45-121-112(117)118)97(155)133-79(53-68-57-123-71-32-20-19-31-70(68)71)102(160)132-77(52-67-37-39-69(142)40-38-67)101(159)138-83(106(164)127-75(41-43-86(114)143)98(156)131-78(51-66-29-15-10-16-30-66)105(163)139-93(62(4)5)109(167)129-74(42-44-90(147)148)96(154)124-58-88(116)145)59-175-176-60-84(137-100(158)76(50-61(2)3)130-95(153)64(7)125-89(146)36-18-12-22-49-173-174(170,171)172-48-21-11-17-28-65-26-13-9-14-27-65)107(165)134-80(55-91(149)150)104(162)136-82(54-87(115)144)111(169)141-47-25-35-85(141)108(166)128-73(99(157)140-94)34-24-46-122-113(119)120/h9-10,13-16,19-20,26-27,29-32,37-40,57,61-64,72-85,93-94,123,142H,8,11-12,17-18,21-25,28,33-36,41-56,58-60H2,1-7H3,(H2,114,143)(H2,115,144)(H2,116,145)(H,124,154)(H,125,146)(H,126,161)(H,127,164)(H,128,166)(H,129,167)(H,130,153)(H,131,156)(H,132,160)(H,133,155)(H,134,165)(H,135,168)(H,136,162)(H,137,158)(H,138,159)(H,139,163)(H,140,157)(H,147,148)(H,149,150)(H,151,152)(H,170,171)(H4,117,118,121)(H4,119,120,122)/t63-,64-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,93-,94-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50127212
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)Oc1ccc2ccccc2c1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,83.87,59.63,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-11.7,2.54,;-10.06,1.64,;-11.56,1.31,;-11.73,-.22,;-10.33,-.82,;-9.3,.32,;-8.3,-.84,;-9.39,-1.93,;-7.09,-1.84,;-7.97,-3.09,;-7.3,-4.49,;-8.18,-5.76,;-5.73,-4.6,;-5.75,-2.58,;-4.29,-3.07,;-4.66,-4.56,;-2.75,-3.3,;-2.85,-4.83,;-1.57,-5.69,;-1.65,-7.22,;-.16,-5,;-1.22,-3.26,;.3,-2.93,;.75,-4.39,;1.72,-2.35,;3.04,-1.54,;4.16,-.5,;5.09,.73,;5.78,2.1,;6.2,3.59,;6.38,5.1,;6.25,6.63,;7.78,6.88,;5.88,8.08,;7.32,8.62,;8.42,9.73,;9.94,9.31,;11.03,10.43,;10.61,11.91,;11.72,13,;9.1,12.33,;8.01,11.22,;5.22,9.5,;4.32,10.75,;5.51,11.73,;3.23,11.82,;4.18,13.03,;5.44,13.79,;6.53,12.75,;7.92,13.43,;7.66,14.9,;8.62,16.13,;8.06,17.57,;6.52,17.78,;5.58,16.59,;6.15,15.18,;1.96,12.68,;.53,13.28,;1.04,14.73,;-.95,13.65,;-.73,15.18,;.7,15.73,;.95,17.24,;2.37,17.8,;2.61,19.33,;1.4,20.28,;4.06,19.89,;-2.5,13.74,;-4.03,13.56,;-4.38,15.08,;-5.51,13.13,;-6.09,14.53,;-7.63,14.76,;-8.24,16.17,;-8.65,14.25,;-6.88,12.42,;-8.11,11.47,;-9.16,12.58,;-9.13,10.36,;-10.97,10.01,;-9.95,9.06,;-10.53,7.62,;-12,8.04,;-10.81,6.12,;-12.35,6.28,;-12.96,7.66,;-14.53,7.85,;-15.14,9.22,;-16.68,9.38,;-17.32,10.8,;-17.6,8.15,;-10.85,4.61,;-10.6,3.08,;-12.1,2.71,;-10.39,11.28,;-11.8,10.66,;-10.2,12.79,;-11.42,13.69,;7.73,3.26,;8.22,1.83,;8.75,4.42,;10.26,4.15,;10.77,2.68,;12.27,2.41,;12.79,.94,;11.76,-.22,;14.28,.64,;11.28,5.28,;10.79,6.74,;12.79,4.98,;13.81,6.14,;13.3,7.6,;14.32,8.73,;15.83,8.45,;16.87,9.61,;16.37,11.05,;14.86,11.35,;13.84,10.19,;15.34,5.86,;15.83,4.4,;16.34,7,;17.87,6.7,;18.36,5.26,;19.87,4.96,;17.34,4.1,;18.9,7.85,;18.38,9.29,;20.4,7.57,;21.42,8.71,;20.91,10.17,;21.94,11.31,;21.42,12.77,;19.93,13.05,;22.45,13.92,;22.93,8.41,;23.44,6.98,;23.93,9.57,;25.46,9.27,;26.48,10.43,;27.99,10.12,;25.97,11.89,;2.44,-3.72,;2.4,-5.25,;1.05,-6.02,;3.72,-6.04,;5.34,-5.34,;6.87,-5.58,;7.83,-4.34,;7.43,-6.97,;3.7,-7.57,;5.02,-8.36,;6.37,-7.62,;4.99,-9.89,;3.64,-10.63,;6.32,-10.68,;7.8,-10.29,;8.22,-8.83,;9.2,-10.95,;9.31,-12.48,;10.7,-13.14,;10.82,-14.69,;12.21,-15.35,;12.33,-16.88,;13.72,-17.55,;15.11,-18.22,;14.39,-16.16,;13.06,-18.94,;13.93,-20.21,;15.46,-20.08,;16.34,-21.36,;15.66,-22.75,;16.52,-24,;15.86,-25.38,;14.32,-25.5,;13.47,-24.23,;14.14,-22.86,;13.26,-21.59,)| Show InChI InChI=1S/C112H157N28O32PS2/c1-8-60(6)93-109(167)134-80(53-91(150)151)102(160)125-71(28-19-42-120-111(116)117)96(154)132-78(50-66-54-122-70-27-17-16-26-69(66)70)101(159)131-76(48-63-32-35-67(141)36-33-63)100(158)137-82(105(163)126-74(38-40-85(113)142)97(155)130-77(47-62-22-11-9-12-23-62)104(162)138-92(59(4)5)108(166)128-73(39-41-89(146)147)95(153)123-55-87(115)144)56-174-175-57-83(136-99(157)75(46-58(2)3)129-94(152)61(7)124-88(145)31-13-10-18-45-171-173(169,170)172-68-37-34-64-24-14-15-25-65(64)49-68)106(164)133-79(52-90(148)149)103(161)135-81(51-86(114)143)110(168)140-44-21-30-84(140)107(165)127-72(98(156)139-93)29-20-43-121-112(118)119/h9,11-12,14-17,22-27,32-37,49,54,58-61,71-84,92-93,122,141H,8,10,13,18-21,28-31,38-48,50-53,55-57H2,1-7H3,(H2,113,142)(H2,114,143)(H2,115,144)(H,123,153)(H,124,145)(H,125,160)(H,126,163)(H,127,165)(H,128,166)(H,129,152)(H,130,155)(H,131,159)(H,132,154)(H,133,164)(H,134,167)(H,135,161)(H,136,157)(H,137,158)(H,138,162)(H,139,156)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,116,117,120)(H4,118,119,121)/t60-,61-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50127214
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OCCCCCc1ccccc1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,83.87,59.63,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-17.32,12.85,;-15.69,11.95,;-17.2,11.64,;-17.36,10.11,;-15.95,9.49,;-14.92,10.62,;-13.92,9.46,;-15.02,8.37,;-12.72,8.48,;-13.6,7.24,;-12.92,5.85,;-13.81,4.55,;-11.35,5.71,;-11.37,7.72,;-9.91,7.24,;-10.28,5.75,;-8.38,7.01,;-8.47,5.47,;-7.19,4.62,;-7.26,3.09,;-5.78,5.32,;-6.85,7.05,;-5.31,7.38,;-4.87,5.92,;-3.9,7.95,;-2.57,8.77,;-1.46,9.81,;-.53,11.04,;.17,12.43,;.59,13.9,;.77,15.41,;.64,16.94,;2.17,17.2,;.26,18.42,;1.7,18.94,;2.82,20.06,;2.4,21.54,;3.49,22.66,;5,22.24,;6.12,23.33,;5.42,20.75,;4.33,19.64,;-.39,19.82,;-1.29,21.08,;-.11,22.06,;-2.39,22.15,;-1.41,23.36,;-.18,24.14,;.91,23.08,;2.31,23.77,;2.05,25.26,;3,26.47,;2.45,27.91,;.91,28.13,;-.04,26.93,;.54,25.52,;-3.66,23.01,;-5.08,23.63,;-4.57,25.08,;-6.57,24,;-6.36,25.53,;-4.92,26.07,;-4.66,27.58,;-3.24,28.14,;-3.01,29.68,;-4.22,30.63,;-1.55,30.23,;-8.12,24.09,;-9.66,23.91,;-10.01,25.42,;-11.14,23.47,;-11.72,24.87,;-13.25,25.1,;-13.85,26.52,;-14.27,24.59,;-12.51,22.75,;-13.74,21.81,;-14.78,22.93,;-14.76,20.68,;-16.6,20.35,;-15.57,19.38,;-16.15,17.96,;-17.64,18.36,;-16.43,16.43,;-17.99,16.6,;-18.59,18,;-20.17,18.18,;-20.77,19.55,;-22.31,19.72,;-22.95,21.13,;-23.23,18.48,;-16.46,14.92,;-16.22,13.39,;-17.73,13.02,;-15.99,21.61,;-17.43,20.99,;-15.83,23.12,;-17.06,24.03,;2.12,13.59,;2.61,12.14,;3.14,14.75,;4.65,14.46,;5.17,12.99,;6.68,12.72,;7.19,11.25,;6.16,10.11,;8.67,10.95,;5.68,15.6,;5.19,17.06,;7.19,15.31,;8.21,16.47,;7.7,17.92,;8.72,19.06,;8.23,20.52,;9.25,21.68,;10.76,21.38,;11.28,19.94,;10.23,18.78,;9.74,16.18,;10.23,14.71,;10.74,17.32,;12.27,17.03,;12.76,15.57,;14.3,15.27,;11.74,14.43,;13.3,18.19,;12.79,19.63,;14.81,17.9,;15.83,19.03,;15.32,20.5,;16.34,21.64,;15.83,23.1,;14.34,23.4,;16.85,24.26,;17.34,18.75,;17.85,17.29,;18.34,19.91,;19.87,19.59,;20.89,20.75,;22.4,20.45,;20.38,22.22,;-3.18,6.59,;-3.22,5.06,;-4.57,4.3,;-1.9,4.27,;-.27,4.96,;1.26,4.74,;2.23,5.99,;1.84,3.34,;-1.92,2.73,;-.6,1.94,;.75,2.69,;-.62,.41,;-1.97,-.33,;.7,-.38,;2.21,.02,;2.61,1.49,;3.6,-.64,;3.72,-2.17,;5.11,-2.84,;5.23,-4.38,;6.61,-5.04,;6.74,-6.58,;8.13,-7.25,;9.53,-7.91,;8.79,-5.85,;7.47,-8.64,;8.34,-9.9,;9.87,-9.8,;10.73,-11.07,;12.27,-10.97,;13.13,-12.23,;14.64,-12.11,;15.5,-13.39,;17.03,-13.29,;17.7,-11.9,;16.83,-10.62,;15.31,-10.74,)| Show InChI InChI=1S/C113H165N28O32PS2/c1-8-63(6)94-110(168)135-81(56-92(151)152)103(161)126-72(33-23-45-121-112(117)118)97(155)133-79(53-68-57-123-71-32-20-19-31-70(68)71)102(160)132-77(52-67-37-39-69(142)40-38-67)101(159)138-83(106(164)127-75(41-43-86(114)143)98(156)131-78(51-66-29-15-10-16-30-66)105(163)139-93(62(4)5)109(167)129-74(42-44-90(147)148)96(154)124-58-88(116)145)59-175-176-60-84(137-100(158)76(50-61(2)3)130-95(153)64(7)125-89(146)36-18-12-22-49-173-174(170,171)172-48-21-11-17-28-65-26-13-9-14-27-65)107(165)134-80(55-91(149)150)104(162)136-82(54-87(115)144)111(169)141-47-25-35-85(141)108(166)128-73(99(157)140-94)34-24-46-122-113(119)120/h9-10,13-16,19-20,26-27,29-32,37-40,57,61-64,72-85,93-94,123,142H,8,11-12,17-18,21-25,28,33-36,41-56,58-60H2,1-7H3,(H2,114,143)(H2,115,144)(H2,116,145)(H,124,154)(H,125,146)(H,126,161)(H,127,164)(H,128,166)(H,129,167)(H,130,153)(H,131,156)(H,132,160)(H,133,155)(H,134,165)(H,135,168)(H,136,162)(H,137,158)(H,138,159)(H,139,163)(H,140,157)(H,147,148)(H,149,150)(H,151,152)(H,170,171)(H4,117,118,121)(H4,119,120,122)/t63-,64-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,93-,94-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119057
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C110H151N29O31S3/c1-8-57(6)91-107(167)132-77(50-89(150)151)100(160)123-68(25-16-40-118-109(114)115)94(154)130-75(47-63-51-120-67-24-15-14-23-66(63)67)99(159)129-73(45-60-28-31-64(140)32-29-60)98(158)135-79(103(163)124-71(34-36-82(111)141)95(155)128-74(44-59-19-10-9-11-20-59)102(162)136-90(56(4)5)106(166)126-70(35-39-87(146)147)93(153)121-52-84(113)143)53-171-172-54-80(134-97(157)72(43-55(2)3)127-92(152)58(7)122-85(144)37-38-86(145)138-173(169,170)65-33-30-61-21-12-13-22-62(61)46-65)104(164)131-76(49-88(148)149)101(161)133-78(48-83(112)142)108(168)139-42-18-27-81(139)105(165)125-69(96(156)137-91)26-17-41-119-110(116)117/h9-15,19-24,28-33,46,51,55-58,68-81,90-91,120,140H,8,16-18,25-27,34-45,47-50,52-54H2,1-7H3,(H2,111,141)(H2,112,142)(H2,113,143)(H,121,153)(H,122,144)(H,123,160)(H,124,163)(H,125,165)(H,126,166)(H,127,152)(H,128,155)(H,129,159)(H,130,154)(H,131,164)(H,132,167)(H,133,161)(H,134,157)(H,135,158)(H,136,162)(H,137,156)(H,138,145)(H,146,147)(H,148,149)(H,150,151)(H4,114,115,118)(H4,116,117,119)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,90-,91+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119055
(Biotinylated E-76 peptide analogue | CHEMBL414777)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C106H145N29O28S2/c1-8-54(6)86-103(162)129-74(47-84(144)145)96(155)120-64(25-16-38-114-105(110)111)90(149)127-72(44-59-48-116-63-24-15-13-22-61(59)63)95(154)126-70(43-57-28-31-60(136)32-29-57)94(153)132-76(99(158)121-68(34-36-79(107)137)91(150)125-71(42-56-19-10-9-11-20-56)98(157)133-85(53(4)5)102(161)123-66(35-37-82(140)141)88(147)117-49-81(109)139)50-164-165-51-77(131-93(152)69(41-52(2)3)124-87(146)55(7)118-89(148)67-33-30-58-21-12-14-23-62(58)119-67)100(159)128-73(46-83(142)143)97(156)130-75(45-80(108)138)104(163)135-40-18-27-78(135)101(160)122-65(92(151)134-86)26-17-39-115-106(112)113/h9-15,19-24,28-33,48,52-55,64-66,68-78,85-86,116,136H,8,16-18,25-27,34-47,49-51H2,1-7H3,(H2,107,137)(H2,108,138)(H2,109,139)(H,117,147)(H,118,148)(H,120,155)(H,121,158)(H,122,160)(H,123,161)(H,124,146)(H,125,150)(H,126,154)(H,127,149)(H,128,159)(H,129,162)(H,130,156)(H,131,152)(H,132,153)(H,133,157)(H,134,151)(H,140,141)(H,142,143)(H,144,145)(H4,110,111,114)(H4,112,113,115)/t54-,55-,64+,65-,66-,68-,69-,70+,71-,72-,73+,74-,75-,76+,77+,78+,85-,86+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50127213
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237234...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OC1CCC(CC1)(c1ccccc1)c1ccccc1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,59.63,83.87,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-14.87,7.47,;-13.24,6.57,;-14.76,6.24,;-14.91,4.71,;-13.5,4.1,;-12.47,5.24,;-11.46,4.08,;-12.57,2.99,;-10.28,3.08,;-11.15,1.83,;-10.49,.43,;-11.34,-.84,;-8.91,.32,;-8.92,2.34,;-7.47,1.85,;-7.84,.36,;-5.92,1.62,;-6.03,.09,;-4.74,-.77,;-4.82,-2.31,;-3.34,-.08,;-4.39,1.66,;-2.87,1.99,;-2.42,.53,;-1.44,2.57,;-.13,3.38,;1,4.43,;1.93,5.66,;2.61,7.03,;3.04,8.51,;3.21,10.02,;3.09,11.55,;4.62,11.81,;2.72,13.02,;4.16,13.55,;5.26,14.67,;4.86,16.15,;5.95,17.27,;7.46,16.85,;8.56,17.94,;7.88,15.36,;6.78,14.25,;2.05,14.43,;1.16,15.69,;2.35,16.66,;.05,16.76,;1.03,17.96,;2.28,18.73,;3.37,17.69,;4.76,18.36,;4.51,19.86,;5.46,21.07,;4.9,22.51,;3.35,22.73,;2.42,21.53,;2.98,20.1,;-1.21,17.62,;-2.64,18.24,;-2.13,19.68,;-4.13,18.59,;-3.9,20.13,;-2.46,20.68,;-2.22,22.18,;-.79,22.74,;-.56,24.28,;-1.77,25.23,;.89,24.83,;-5.67,18.68,;-7.2,18.5,;-7.55,20.02,;-8.69,18.07,;-9.27,19.47,;-10.82,19.7,;-11.41,21.12,;-11.81,19.17,;-10.06,17.36,;-11.29,16.41,;-12.34,17.52,;-12.31,15.29,;-14.15,14.96,;-13.13,13.99,;-13.71,12.55,;-15.19,12.97,;-13.98,11.04,;-15.55,11.2,;-16.15,12.6,;-17.71,12.78,;-18.31,14.16,;-19.87,14.32,;-20.5,15.73,;-20.78,13.09,;-14.02,9.53,;-13.76,8,;-15.27,7.63,;-13.55,16.22,;-14.98,15.6,;-13.38,17.73,;-14.6,18.63,;4.56,8.18,;5.06,6.75,;5.58,9.35,;7.11,9.07,;7.62,7.6,;9.11,7.33,;9.63,5.87,;8.6,4.71,;11.13,5.57,;8.13,10.21,;7.63,11.67,;9.64,9.9,;10.66,11.07,;10.15,12.53,;11.17,13.67,;10.69,15.13,;11.71,16.29,;13.22,15.99,;13.71,14.55,;12.68,13.39,;12.18,10.79,;12.68,9.32,;13.19,11.93,;14.73,11.62,;15.22,10.18,;14.19,9.02,;16.73,9.88,;15.75,12.78,;15.24,14.22,;17.24,12.51,;18.27,13.64,;17.77,15.11,;18.79,16.25,;18.28,17.71,;16.78,18,;19.3,18.86,;19.78,13.34,;20.3,11.9,;20.79,14.5,;22.32,14.2,;23.35,15.36,;24.86,15.06,;22.84,16.83,;-.74,1.2,;-.77,-.33,;-2.11,-1.1,;.56,-1.12,;2.17,-.43,;3.7,-.66,;4.28,-2.05,;4.68,.58,;.53,-2.66,;1.86,-3.45,;3.21,-2.7,;1.82,-4.98,;.47,-5.72,;3.16,-5.77,;4.65,-5.37,;5.06,-3.91,;6.05,-6.04,;6.16,-7.56,;7.56,-8.23,;7.67,-9.78,;9.06,-10.44,;9.18,-11.97,;10.58,-12.65,;11.97,-13.32,;11.24,-11.25,;9.9,-14.04,;10.79,-15.31,;12.32,-15.2,;13.18,-16.47,;12.51,-17.84,;10.97,-17.94,;10.11,-16.68,;14.04,-17.78,;14.85,-19.08,;16.39,-19.03,;17.11,-17.68,;16.28,-16.38,;14.75,-16.43,;11.74,-19.17,;12.48,-20.47,;11.72,-21.8,;10.18,-21.8,;9.42,-20.47,;10.2,-19.14,)| Show InChI InChI=1S/C120H169N28O32PS2/c1-8-67(6)100-116(175)142-87(60-98(158)159)109(168)133-78(34-23-50-128-118(124)125)103(162)140-85(57-71-61-130-77-33-21-20-32-76(71)77)108(167)139-83(56-70-38-40-74(149)41-39-70)107(166)145-89(112(171)134-81(42-44-92(121)150)104(163)138-84(55-69-26-13-9-14-27-69)111(170)146-99(66(4)5)115(174)136-80(43-45-96(154)155)102(161)131-62-94(123)152)63-182-183-64-90(113(172)141-86(59-97(156)157)110(169)143-88(58-93(122)151)117(176)148-52-25-36-91(148)114(173)135-79(105(164)147-100)35-24-51-129-119(126)127)144-106(165)82(54-65(2)3)137-101(160)68(7)132-95(153)37-19-12-22-53-179-181(177,178)180-75-46-48-120(49-47-75,72-28-15-10-16-29-72)73-30-17-11-18-31-73/h9-11,13-18,20-21,26-33,38-41,61,65-68,75,78-91,99-100,130,149H,8,12,19,22-25,34-37,42-60,62-64H2,1-7H3,(H2,121,150)(H2,122,151)(H2,123,152)(H,131,161)(H,132,153)(H,133,168)(H,134,171)(H,135,173)(H,136,174)(H,137,160)(H,138,163)(H,139,167)(H,140,162)(H,141,172)(H,142,175)(H,143,169)(H,144,165)(H,145,166)(H,146,170)(H,147,164)(H,154,155)(H,156,157)(H,158,159)(H,177,178)(H4,124,125,128)(H4,126,127,129)/t67-,68-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119057
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C110H151N29O31S3/c1-8-57(6)91-107(167)132-77(50-89(150)151)100(160)123-68(25-16-40-118-109(114)115)94(154)130-75(47-63-51-120-67-24-15-14-23-66(63)67)99(159)129-73(45-60-28-31-64(140)32-29-60)98(158)135-79(103(163)124-71(34-36-82(111)141)95(155)128-74(44-59-19-10-9-11-20-59)102(162)136-90(56(4)5)106(166)126-70(35-39-87(146)147)93(153)121-52-84(113)143)53-171-172-54-80(134-97(157)72(43-55(2)3)127-92(152)58(7)122-85(144)37-38-86(145)138-173(169,170)65-33-30-61-21-12-13-22-62(61)46-65)104(164)131-76(49-88(148)149)101(161)133-78(48-83(112)142)108(168)139-42-18-27-81(139)105(165)125-69(96(156)137-91)26-17-41-119-110(116)117/h9-15,19-24,28-33,46,51,55-58,68-81,90-91,120,140H,8,16-18,25-27,34-45,47-50,52-54H2,1-7H3,(H2,111,141)(H2,112,142)(H2,113,143)(H,121,153)(H,122,144)(H,123,160)(H,124,163)(H,125,165)(H,126,166)(H,127,152)(H,128,155)(H,129,159)(H,130,154)(H,131,164)(H,132,167)(H,133,161)(H,134,157)(H,135,158)(H,136,162)(H,137,156)(H,138,145)(H,146,147)(H,148,149)(H,150,151)(H4,114,115,118)(H4,116,117,119)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,90-,91+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119056
(Biotinylated E-76 peptide analogue | CHEMBL439444)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C109H148N28O28S2/c1-8-57(6)89-106(164)131-77(50-87(146)147)99(157)122-68(26-17-41-117-108(113)114)93(151)129-75(47-64-51-119-67-25-16-15-24-66(64)67)98(156)128-73(46-60-29-35-65(138)36-30-60)97(155)134-79(102(160)123-71(37-39-82(110)139)94(152)127-74(45-59-20-11-9-12-21-59)101(159)135-88(56(4)5)105(163)125-70(38-40-85(142)143)92(150)120-52-84(112)141)53-166-167-54-80(133-96(154)72(44-55(2)3)126-90(148)58(7)121-91(149)63-33-31-62(32-34-63)61-22-13-10-14-23-61)103(161)130-76(49-86(144)145)100(158)132-78(48-83(111)140)107(165)137-43-19-28-81(137)104(162)124-69(95(153)136-89)27-18-42-118-109(115)116/h9-16,20-25,29-36,51,55-58,68-81,88-89,119,138H,8,17-19,26-28,37-50,52-54H2,1-7H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,120,150)(H,121,149)(H,122,157)(H,123,160)(H,124,162)(H,125,163)(H,126,148)(H,127,152)(H,128,156)(H,129,151)(H,130,161)(H,131,164)(H,132,158)(H,133,154)(H,134,155)(H,135,159)(H,136,153)(H,142,143)(H,144,145)(H,146,147)(H4,113,114,117)(H4,115,116,118)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,88-,89+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50127213
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237234...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OC1CCC(CC1)(c1ccccc1)c1ccccc1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,59.63,83.87,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-14.87,7.47,;-13.24,6.57,;-14.76,6.24,;-14.91,4.71,;-13.5,4.1,;-12.47,5.24,;-11.46,4.08,;-12.57,2.99,;-10.28,3.08,;-11.15,1.83,;-10.49,.43,;-11.34,-.84,;-8.91,.32,;-8.92,2.34,;-7.47,1.85,;-7.84,.36,;-5.92,1.62,;-6.03,.09,;-4.74,-.77,;-4.82,-2.31,;-3.34,-.08,;-4.39,1.66,;-2.87,1.99,;-2.42,.53,;-1.44,2.57,;-.13,3.38,;1,4.43,;1.93,5.66,;2.61,7.03,;3.04,8.51,;3.21,10.02,;3.09,11.55,;4.62,11.81,;2.72,13.02,;4.16,13.55,;5.26,14.67,;4.86,16.15,;5.95,17.27,;7.46,16.85,;8.56,17.94,;7.88,15.36,;6.78,14.25,;2.05,14.43,;1.16,15.69,;2.35,16.66,;.05,16.76,;1.03,17.96,;2.28,18.73,;3.37,17.69,;4.76,18.36,;4.51,19.86,;5.46,21.07,;4.9,22.51,;3.35,22.73,;2.42,21.53,;2.98,20.1,;-1.21,17.62,;-2.64,18.24,;-2.13,19.68,;-4.13,18.59,;-3.9,20.13,;-2.46,20.68,;-2.22,22.18,;-.79,22.74,;-.56,24.28,;-1.77,25.23,;.89,24.83,;-5.67,18.68,;-7.2,18.5,;-7.55,20.02,;-8.69,18.07,;-9.27,19.47,;-10.82,19.7,;-11.41,21.12,;-11.81,19.17,;-10.06,17.36,;-11.29,16.41,;-12.34,17.52,;-12.31,15.29,;-14.15,14.96,;-13.13,13.99,;-13.71,12.55,;-15.19,12.97,;-13.98,11.04,;-15.55,11.2,;-16.15,12.6,;-17.71,12.78,;-18.31,14.16,;-19.87,14.32,;-20.5,15.73,;-20.78,13.09,;-14.02,9.53,;-13.76,8,;-15.27,7.63,;-13.55,16.22,;-14.98,15.6,;-13.38,17.73,;-14.6,18.63,;4.56,8.18,;5.06,6.75,;5.58,9.35,;7.11,9.07,;7.62,7.6,;9.11,7.33,;9.63,5.87,;8.6,4.71,;11.13,5.57,;8.13,10.21,;7.63,11.67,;9.64,9.9,;10.66,11.07,;10.15,12.53,;11.17,13.67,;10.69,15.13,;11.71,16.29,;13.22,15.99,;13.71,14.55,;12.68,13.39,;12.18,10.79,;12.68,9.32,;13.19,11.93,;14.73,11.62,;15.22,10.18,;14.19,9.02,;16.73,9.88,;15.75,12.78,;15.24,14.22,;17.24,12.51,;18.27,13.64,;17.77,15.11,;18.79,16.25,;18.28,17.71,;16.78,18,;19.3,18.86,;19.78,13.34,;20.3,11.9,;20.79,14.5,;22.32,14.2,;23.35,15.36,;24.86,15.06,;22.84,16.83,;-.74,1.2,;-.77,-.33,;-2.11,-1.1,;.56,-1.12,;2.17,-.43,;3.7,-.66,;4.28,-2.05,;4.68,.58,;.53,-2.66,;1.86,-3.45,;3.21,-2.7,;1.82,-4.98,;.47,-5.72,;3.16,-5.77,;4.65,-5.37,;5.06,-3.91,;6.05,-6.04,;6.16,-7.56,;7.56,-8.23,;7.67,-9.78,;9.06,-10.44,;9.18,-11.97,;10.58,-12.65,;11.97,-13.32,;11.24,-11.25,;9.9,-14.04,;10.79,-15.31,;12.32,-15.2,;13.18,-16.47,;12.51,-17.84,;10.97,-17.94,;10.11,-16.68,;14.04,-17.78,;14.85,-19.08,;16.39,-19.03,;17.11,-17.68,;16.28,-16.38,;14.75,-16.43,;11.74,-19.17,;12.48,-20.47,;11.72,-21.8,;10.18,-21.8,;9.42,-20.47,;10.2,-19.14,)| Show InChI InChI=1S/C120H169N28O32PS2/c1-8-67(6)100-116(175)142-87(60-98(158)159)109(168)133-78(34-23-50-128-118(124)125)103(162)140-85(57-71-61-130-77-33-21-20-32-76(71)77)108(167)139-83(56-70-38-40-74(149)41-39-70)107(166)145-89(112(171)134-81(42-44-92(121)150)104(163)138-84(55-69-26-13-9-14-27-69)111(170)146-99(66(4)5)115(174)136-80(43-45-96(154)155)102(161)131-62-94(123)152)63-182-183-64-90(113(172)141-86(59-97(156)157)110(169)143-88(58-93(122)151)117(176)148-52-25-36-91(148)114(173)135-79(105(164)147-100)35-24-51-129-119(126)127)144-106(165)82(54-65(2)3)137-101(160)68(7)132-95(153)37-19-12-22-53-179-181(177,178)180-75-46-48-120(49-47-75,72-28-15-10-16-29-72)73-30-17-11-18-31-73/h9-11,13-18,20-21,26-33,38-41,61,65-68,75,78-91,99-100,130,149H,8,12,19,22-25,34-37,42-60,62-64H2,1-7H3,(H2,121,150)(H2,122,151)(H2,123,152)(H,131,161)(H,132,153)(H,133,168)(H,134,171)(H,135,173)(H,136,174)(H,137,160)(H,138,163)(H,139,167)(H,140,162)(H,141,172)(H,142,175)(H,143,169)(H,144,165)(H,145,166)(H,146,170)(H,147,164)(H,154,155)(H,156,157)(H,158,159)(H,177,178)(H4,124,125,128)(H4,126,127,129)/t67-,68-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% ovalbumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50520865
(CHEMBL4469752)Show SMILES COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClN4O3S/c1-27-10-9-18-19(12-27)31-22(26-18)21(29)25-17-8-7-15(30-2)11-16(17)20(28)24-14-5-3-13(23)4-6-14/h3-8,11H,9-10,12H2,1-2H3,(H,24,28)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 7a preincubated for 30 mins followed by substrate addition and measured for 20 mins |
Bioorg Med Chem 26: 5987-5999 (2018)
Article DOI: 10.1016/j.bmc.2018.09.012
BindingDB Entry DOI: 10.7270/Q2251NKT |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM13592
(2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxyp...)Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins |
Bioorg Med Chem Lett 23: 5239-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.028
BindingDB Entry DOI: 10.7270/Q2CC123C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50167830
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(N)=O)C(N)=N Show InChI InChI=1S/C29H37N9O4/c1-5-16(4)37-28(41)20-8-19(9-21(30)10-20)23-13-35-27(36-15(2)3)29(42)38(23)14-24(39)34-12-18-7-6-17(25(31)32)11-22(18)26(33)40/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H2,33,40)(H,34,39)(H,35,36)(H,37,41)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Corp.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Coagulation factor VIIa |
Bioorg Med Chem Lett 15: 3006-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50439474
(CHEMBL2417906)Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C30H31N5O6/c1-30(2,3)23(15-36)34-27(37)17-5-7-20(22(14-17)29(39)40)21-9-10-24(41-4)35-25(21)28(38)33-18-6-8-19-16(13-18)11-12-32-26(19)31/h5-14,23,36H,15H2,1-4H3,(H2,31,32)(H,33,38)(H,34,37)(H,39,40)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins |
Bioorg Med Chem Lett 23: 5239-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.028
BindingDB Entry DOI: 10.7270/Q2CC123C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31501
(substituted biphenyl derivative, 36ao)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1CO Show InChI InChI=1S/C31H30N4O6/c1-17(2)15-34-29(37)20-6-10-24(26(14-20)31(39)40)23-9-5-19(22-11-12-41-27(22)16-36)13-25(23)30(38)35-21-7-3-18(4-8-21)28(32)33/h3-14,17,36H,15-16H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | 25 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172214
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES COc1cccc(CNC(=O)c2ccc(Oc3nc(Oc4cccc(c4)C(N)=N)c(F)c(NC(C)CCc4ccccc4)c3F)c(c2)C(O)=O)c1 Show InChI InChI=1S/C38H35F2N5O6/c1-22(14-15-23-8-4-3-5-9-23)44-33-31(39)36(50-28-13-7-11-25(19-28)34(41)42)45-37(32(33)40)51-30-17-16-26(20-29(30)38(47)48)35(46)43-21-24-10-6-12-27(18-24)49-2/h3-13,16-20,22H,14-15,21H2,1-2H3,(H3,41,42)(H,43,46)(H,44,45)(H,47,48) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31488
(substituted biphenyl derivative, 36ab)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccco1 Show InChI InChI=1S/C30H28N4O5/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.2 | 23 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31499
(substituted biphenyl derivative, 36am)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN=[N+]=[N-] Show InChI InChI=1S/C31H29N7O4S/c1-17(2)13-35-29(39)20-6-10-24(26(12-20)31(41)42)23-9-5-19(27-16-43-15-21(27)14-36-38-34)11-25(23)30(40)37-22-7-3-18(4-8-22)28(32)33/h3-12,15-17H,13-14H2,1-2H3,(H3,32,33)(H,35,39)(H,37,40)(H,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | 25 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31497
(substituted biphenyl derivative, 36ak)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | 25 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31468
(substituted biphenyl derivative, 36h)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C29H28N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h5-15,17H,1,16H2,2-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.2 | 23 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50439477
(CHEMBL2417903)Show SMILES CCNc1ccc(c(n1)C(=O)Nc1ccc2c(N)nccc2c1)-c1ccc(cc1C(O)=O)C(=O)NCC(C)(C)C Show InChI InChI=1S/C30H32N6O4/c1-5-32-24-11-10-22(21-8-6-18(15-23(21)29(39)40)27(37)34-16-30(2,3)4)25(36-24)28(38)35-19-7-9-20-17(14-19)12-13-33-26(20)31/h6-15H,5,16H2,1-4H3,(H2,31,33)(H,32,36)(H,34,37)(H,35,38)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins |
Bioorg Med Chem Lett 23: 5239-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.028
BindingDB Entry DOI: 10.7270/Q2CC123C |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31462
(substituted biphenyl derivative, 36b)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H28N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h4-14,16H,1,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.2 | 23 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119050
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50127212
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)Oc1ccc2ccccc2c1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,83.87,59.63,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-11.7,2.54,;-10.06,1.64,;-11.56,1.31,;-11.73,-.22,;-10.33,-.82,;-9.3,.32,;-8.3,-.84,;-9.39,-1.93,;-7.09,-1.84,;-7.97,-3.09,;-7.3,-4.49,;-8.18,-5.76,;-5.73,-4.6,;-5.75,-2.58,;-4.29,-3.07,;-4.66,-4.56,;-2.75,-3.3,;-2.85,-4.83,;-1.57,-5.69,;-1.65,-7.22,;-.16,-5,;-1.22,-3.26,;.3,-2.93,;.75,-4.39,;1.72,-2.35,;3.04,-1.54,;4.16,-.5,;5.09,.73,;5.78,2.1,;6.2,3.59,;6.38,5.1,;6.25,6.63,;7.78,6.88,;5.88,8.08,;7.32,8.62,;8.42,9.73,;9.94,9.31,;11.03,10.43,;10.61,11.91,;11.72,13,;9.1,12.33,;8.01,11.22,;5.22,9.5,;4.32,10.75,;5.51,11.73,;3.23,11.82,;4.18,13.03,;5.44,13.79,;6.53,12.75,;7.92,13.43,;7.66,14.9,;8.62,16.13,;8.06,17.57,;6.52,17.78,;5.58,16.59,;6.15,15.18,;1.96,12.68,;.53,13.28,;1.04,14.73,;-.95,13.65,;-.73,15.18,;.7,15.73,;.95,17.24,;2.37,17.8,;2.61,19.33,;1.4,20.28,;4.06,19.89,;-2.5,13.74,;-4.03,13.56,;-4.38,15.08,;-5.51,13.13,;-6.09,14.53,;-7.63,14.76,;-8.24,16.17,;-8.65,14.25,;-6.88,12.42,;-8.11,11.47,;-9.16,12.58,;-9.13,10.36,;-10.97,10.01,;-9.95,9.06,;-10.53,7.62,;-12,8.04,;-10.81,6.12,;-12.35,6.28,;-12.96,7.66,;-14.53,7.85,;-15.14,9.22,;-16.68,9.38,;-17.32,10.8,;-17.6,8.15,;-10.85,4.61,;-10.6,3.08,;-12.1,2.71,;-10.39,11.28,;-11.8,10.66,;-10.2,12.79,;-11.42,13.69,;7.73,3.26,;8.22,1.83,;8.75,4.42,;10.26,4.15,;10.77,2.68,;12.27,2.41,;12.79,.94,;11.76,-.22,;14.28,.64,;11.28,5.28,;10.79,6.74,;12.79,4.98,;13.81,6.14,;13.3,7.6,;14.32,8.73,;15.83,8.45,;16.87,9.61,;16.37,11.05,;14.86,11.35,;13.84,10.19,;15.34,5.86,;15.83,4.4,;16.34,7,;17.87,6.7,;18.36,5.26,;19.87,4.96,;17.34,4.1,;18.9,7.85,;18.38,9.29,;20.4,7.57,;21.42,8.71,;20.91,10.17,;21.94,11.31,;21.42,12.77,;19.93,13.05,;22.45,13.92,;22.93,8.41,;23.44,6.98,;23.93,9.57,;25.46,9.27,;26.48,10.43,;27.99,10.12,;25.97,11.89,;2.44,-3.72,;2.4,-5.25,;1.05,-6.02,;3.72,-6.04,;5.34,-5.34,;6.87,-5.58,;7.83,-4.34,;7.43,-6.97,;3.7,-7.57,;5.02,-8.36,;6.37,-7.62,;4.99,-9.89,;3.64,-10.63,;6.32,-10.68,;7.8,-10.29,;8.22,-8.83,;9.2,-10.95,;9.31,-12.48,;10.7,-13.14,;10.82,-14.69,;12.21,-15.35,;12.33,-16.88,;13.72,-17.55,;15.11,-18.22,;14.39,-16.16,;13.06,-18.94,;13.93,-20.21,;15.46,-20.08,;16.34,-21.36,;15.66,-22.75,;16.52,-24,;15.86,-25.38,;14.32,-25.5,;13.47,-24.23,;14.14,-22.86,;13.26,-21.59,)| Show InChI InChI=1S/C112H157N28O32PS2/c1-8-60(6)93-109(167)134-80(53-91(150)151)102(160)125-71(28-19-42-120-111(116)117)96(154)132-78(50-66-54-122-70-27-17-16-26-69(66)70)101(159)131-76(48-63-32-35-67(141)36-33-63)100(158)137-82(105(163)126-74(38-40-85(113)142)97(155)130-77(47-62-22-11-9-12-23-62)104(162)138-92(59(4)5)108(166)128-73(39-41-89(146)147)95(153)123-55-87(115)144)56-174-175-57-83(136-99(157)75(46-58(2)3)129-94(152)61(7)124-88(145)31-13-10-18-45-171-173(169,170)172-68-37-34-64-24-14-15-25-65(64)49-68)106(164)133-79(52-90(148)149)103(161)135-81(51-86(114)143)110(168)140-44-21-30-84(140)107(165)127-72(98(156)139-93)29-20-43-121-112(118)119/h9,11-12,14-17,22-27,32-37,49,54,58-61,71-84,92-93,122,141H,8,10,13,18-21,28-31,38-48,50-53,55-57H2,1-7H3,(H2,113,142)(H2,114,143)(H2,115,144)(H,123,153)(H,124,145)(H,125,160)(H,126,163)(H,127,165)(H,128,166)(H,129,152)(H,130,155)(H,131,159)(H,132,154)(H,133,164)(H,134,167)(H,135,161)(H,136,157)(H,137,158)(H,138,162)(H,139,156)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,116,117,120)(H4,118,119,121)/t60-,61-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50167833
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)Nc1ccncc1)C(N)=N Show InChI InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Corp.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Coagulation factor VIIa |
Bioorg Med Chem Lett 15: 3006-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119050
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% ovalbumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119047
(Biotinylated E-76 peptide analogue | CHEMBL441926)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C105H150N28O29S3/c1-11-54(7)85-102(159)126-73(46-83(142)143)95(152)117-64(24-17-35-113-104(109)110)89(146)124-71(43-60-47-115-63-23-16-15-22-62(60)63)94(151)123-69(42-59-27-29-61(134)30-28-59)93(150)129-75(98(155)118-67(31-33-78(106)135)90(147)122-70(41-58-20-13-12-14-21-58)97(154)130-84(52(4)5)101(158)120-66(32-34-81(138)139)88(145)116-48-80(108)137)49-163-164-50-76(128-92(149)68(38-51(2)3)121-87(144)57(10)132-165(161,162)86-55(8)39-53(6)40-56(86)9)99(156)125-72(45-82(140)141)96(153)127-74(44-79(107)136)103(160)133-37-19-26-77(133)100(157)119-65(91(148)131-85)25-18-36-114-105(111)112/h12-16,20-23,27-30,39-40,47,51-52,54,57,64-77,84-85,115,132,134H,11,17-19,24-26,31-38,41-46,48-50H2,1-10H3,(H2,106,135)(H2,107,136)(H2,108,137)(H,116,145)(H,117,152)(H,118,155)(H,119,157)(H,120,158)(H,121,144)(H,122,147)(H,123,151)(H,124,146)(H,125,156)(H,126,159)(H,127,153)(H,128,149)(H,129,150)(H,130,154)(H,131,148)(H,138,139)(H,140,141)(H,142,143)(H4,109,110,113)(H4,111,112,114)/t54-,57-,64+,65-,66-,67-,68-,69+,70-,71-,72+,73-,74-,75+,76+,77+,84-,85+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31487
(substituted biphenyl derivative, 36aa)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1 Show InChI InChI=1S/C30H28N4O4S/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.2 | 23 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31486
(substituted biphenyl derivative, 36z)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccs1 Show InChI InChI=1S/C30H28N4O4S/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.2 | 23 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172213
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(C)CNC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O Show InChI InChI=1S/C34H35F2N5O5/c1-19(2)18-39-31(42)23-14-15-26(25(17-23)34(43)44)46-33-28(36)29(40-20(3)12-13-21-8-5-4-6-9-21)27(35)32(41-33)45-24-11-7-10-22(16-24)30(37)38/h4-11,14-17,19-20H,12-13,18H2,1-3H3,(H3,37,38)(H,39,42)(H,40,41)(H,43,44) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50520866
(CHEMBL4469308)Show SMILES COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(C)cn1 Show InChI InChI=1S/C22H23N5O3S/c1-13-4-7-19(23-11-13)26-20(28)15-10-14(30-3)5-6-16(15)24-21(29)22-25-17-8-9-27(2)12-18(17)31-22/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,29)(H,23,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 7a preincubated for 30 mins followed by substrate addition and measured for 20 mins |
Bioorg Med Chem 26: 5987-5999 (2018)
Article DOI: 10.1016/j.bmc.2018.09.012
BindingDB Entry DOI: 10.7270/Q2251NKT |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119050
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50439475
(CHEMBL2417905)Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H29N5O5/c1-27(2,3)14-30-24(33)16-7-10-18(20(13-16)26(35)36)19-11-12-21(37-4)32-22(19)25(34)31-17-8-5-15(6-9-17)23(28)29/h5-13H,14H2,1-4H3,(H3,28,29)(H,30,33)(H,31,34)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins |
Bioorg Med Chem Lett 23: 5239-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.028
BindingDB Entry DOI: 10.7270/Q2CC123C |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31493
(substituted biphenyl derivative, 36ag)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | 25 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31470
(substituted biphenyl derivative, 36j)Show SMILES C\C=C/Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C Show InChI InChI=1S/C30H32N4O4/c1-4-5-6-19-7-13-23(25(15-19)29(36)34-22-11-8-20(9-12-22)27(31)32)24-14-10-21(16-26(24)30(37)38)28(35)33-17-18(2)3/h4-5,7-16,18H,6,17H2,1-3H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)/b5-4- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.2 | 23 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31489
(substituted biphenyl derivative, 36ac)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1 Show InChI InChI=1S/C30H28N4O5/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | 25 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50439487
(CHEMBL2417893)Show SMILES CCOc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C30H31N5O5/c1-5-40-24-11-10-22(21-8-6-18(15-23(21)29(38)39)27(36)33-16-30(2,3)4)25(35-24)28(37)34-19-7-9-20-17(14-19)12-13-32-26(20)31/h6-15H,5,16H2,1-4H3,(H2,31,32)(H,33,36)(H,34,37)(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins |
Bioorg Med Chem Lett 23: 5239-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.028
BindingDB Entry DOI: 10.7270/Q2CC123C |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50520867
(CHEMBL4441346)Show SMILES COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C21H20ClN5O3S/c1-27-8-7-16-17(11-27)31-21(25-16)20(29)24-15-5-4-13(30-2)9-14(15)19(28)26-18-6-3-12(22)10-23-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,29)(H,23,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 7a preincubated for 30 mins followed by substrate addition and measured for 20 mins |
Bioorg Med Chem 26: 5987-5999 (2018)
Article DOI: 10.1016/j.bmc.2018.09.012
BindingDB Entry DOI: 10.7270/Q2251NKT |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM31474
(substituted biphenyl derivative, 36n)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CO Show InChI InChI=1S/C29H30N4O5/c1-16(2)14-32-27(35)20-7-11-23(25(13-20)29(37)38)22-10-6-19(17(3)15-34)12-24(22)28(36)33-21-8-4-18(5-9-21)26(30)31/h4-13,16,34H,3,14-15H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.2 | 23 |
BioCryst Pharmaceuticals
| Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds... |
Bioorg Med Chem 17: 3934-58 (2009)
Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50167836
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(F)(F)F)C(N)=N Show InChI InChI=1S/C31H38F3N9O4/c1-5-17(4)42-28(45)21-8-20(9-22(35)10-21)24-13-39-27(41-16(2)3)30(47)43(24)14-25(44)38-12-19-7-6-18(26(36)37)11-23(19)29(46)40-15-31(32,33)34/h6-11,13,16-17H,5,12,14-15,35H2,1-4H3,(H3,36,37)(H,38,44)(H,39,41)(H,40,46)(H,42,45)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Corp.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Coagulation factor VIIa |
Bioorg Med Chem Lett 15: 3006-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119053
(Biotinylated E-76 peptide analogue | CHEMBL415402)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C106H145N29O28S2/c1-8-54(6)86-103(162)129-74(46-84(144)145)96(155)120-65(25-16-36-114-105(110)111)90(149)127-72(43-59-47-117-64-24-15-13-22-62(59)64)95(154)126-70(41-57-28-30-61(136)31-29-57)94(153)132-76(99(158)121-68(32-34-79(107)137)91(150)125-71(40-56-19-10-9-11-20-56)98(157)133-85(53(4)5)102(161)123-67(33-35-82(140)141)89(148)118-49-81(109)139)50-164-165-51-77(131-93(152)69(39-52(2)3)124-87(146)55(7)119-88(147)60-42-58-21-12-14-23-63(58)116-48-60)100(159)128-73(45-83(142)143)97(156)130-75(44-80(108)138)104(163)135-38-18-27-78(135)101(160)122-66(92(151)134-86)26-17-37-115-106(112)113/h9-15,19-24,28-31,42,47-48,52-55,65-78,85-86,117,136H,8,16-18,25-27,32-41,43-46,49-51H2,1-7H3,(H2,107,137)(H2,108,138)(H2,109,139)(H,118,148)(H,119,147)(H,120,155)(H,121,158)(H,122,160)(H,123,161)(H,124,146)(H,125,150)(H,126,154)(H,127,149)(H,128,159)(H,129,162)(H,130,156)(H,131,152)(H,132,153)(H,133,157)(H,134,151)(H,140,141)(H,142,143)(H,144,145)(H4,110,111,114)(H4,112,113,115)/t54-,55-,65+,66-,67-,68-,69-,70+,71-,72-,73+,74-,75-,76+,77+,78+,85-,86+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119054
(Biotinylated E-76 peptide analogue | CHEMBL429011)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C103H144ClN29O28S2/c1-8-52(6)83-99(159)127-71(45-81(142)143)92(152)118-62(21-14-36-112-101(108)109)86(146)125-69(42-56-46-114-61-20-13-12-19-60(56)61)91(151)124-67(41-55-24-30-59(134)31-25-55)90(150)130-73(95(155)119-65(32-34-76(105)135)87(147)123-68(40-54-17-10-9-11-18-54)94(154)131-82(51(4)5)98(158)121-64(33-35-79(138)139)85(145)115-47-78(107)137)48-162-163-49-74(129-89(149)66(39-50(2)3)122-84(144)53(7)116-103(161)117-58-28-26-57(104)27-29-58)96(156)126-70(44-80(140)141)93(153)128-72(43-77(106)136)100(160)133-38-16-23-75(133)97(157)120-63(88(148)132-83)22-15-37-113-102(110)111/h9-13,17-20,24-31,46,50-53,62-75,82-83,114,134H,8,14-16,21-23,32-45,47-49H2,1-7H3,(H2,105,135)(H2,106,136)(H2,107,137)(H,115,145)(H,118,152)(H,119,155)(H,120,157)(H,121,158)(H,122,144)(H,123,147)(H,124,151)(H,125,146)(H,126,156)(H,127,159)(H,128,153)(H,129,149)(H,130,150)(H,131,154)(H,132,148)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,112)(H4,110,111,113)(H2,116,117,161)/t52-,53-,62+,63-,64-,65-,66-,67+,68-,69-,70+,71-,72-,73+,74+,75+,82-,83+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119059
(Biotinylated E-76 peptide analogue | CHEMBL410836)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NCc1ccccc1OC(F)(F)F Show InChI InChI=1S/C104H145F3N28O28S2/c1-8-53(6)84-100(161)129-71(45-82(144)145)93(154)120-62(24-16-36-115-102(111)112)87(148)127-69(42-58-47-118-61-23-14-13-22-60(58)61)92(153)126-67(41-56-28-30-59(136)31-29-56)91(152)132-73(96(157)121-65(32-34-77(108)137)88(149)125-68(40-55-19-10-9-11-20-55)95(156)133-83(52(4)5)99(160)123-64(33-35-80(140)141)86(147)119-48-79(110)139)49-164-165-50-74(131-90(151)66(39-51(2)3)124-85(146)54(7)117-46-57-21-12-15-27-76(57)163-104(105,106)107)97(158)128-70(44-81(142)143)94(155)130-72(43-78(109)138)101(162)135-38-18-26-75(135)98(159)122-63(89(150)134-84)25-17-37-116-103(113)114/h9-15,19-23,27-31,47,51-54,62-75,83-84,117-118,136H,8,16-18,24-26,32-46,48-50H2,1-7H3,(H2,108,137)(H2,109,138)(H2,110,139)(H,119,147)(H,120,154)(H,121,157)(H,122,159)(H,123,160)(H,124,146)(H,125,149)(H,126,153)(H,127,148)(H,128,158)(H,129,161)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,150)(H,140,141)(H,142,143)(H,144,145)(H4,111,112,115)(H4,113,114,116)/t53-,54-,62+,63-,64-,65-,66-,67+,68-,69-,70+,71-,72-,73+,74+,75+,83-,84+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
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