Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50013153 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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)) | 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 | 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 | 2.40 | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | 22 | 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 | 24 | 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)) | 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 | 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% ovalbumin |
Bioorg Med Chem Lett 13: 1513-5 (2003)
BindingDB Entry DOI: 10.7270/Q20G3JJC |
More data for this
Ligand-Target Pair | |
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