Found 141 hits with Last Name = 'hesk' and Initial = 'd' 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 |
|---|
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222015
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85087
(L-Ala-4-Fluoro-L-Phe-L-Arg-3-cyclohexyl-L-Ala-N-am...)Show SMILES [#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C43H66FN13O6/c1-26(45)37(59)56-34(25-29-17-19-30(44)20-18-29)40(62)54-32(16-10-22-52-43(49)50)39(61)57-35(24-28-13-6-3-7-14-28)41(63)53-31(15-8-9-21-51-42(47)48)38(60)55-33(36(46)58)23-27-11-4-2-5-12-27/h2,4-5,11-12,17-20,26,28,31-35H,3,6-10,13-16,21-25,45H2,1H3,(H2,46,58)(H,53,63)(H,54,62)(H,55,60)(H,56,59)(H,57,61)(H4,47,48,51)(H4,49,50,52)/t26-,31-,32-,33-,34-,35-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85085
(CAS_141923-40-2 | SFLLRN-NH2)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C34H57N11O8/c1-18(2)13-24(31(51)41-22(11-8-12-40-34(38)39)30(50)42-23(28(37)48)16-27(36)47)44-32(52)25(14-19(3)4)45-33(53)26(43-29(49)21(35)17-46)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,46H,8,11-17,35H2,1-4H3,(H2,36,47)(H2,37,48)(H,41,51)(H,42,50)(H,43,49)(H,44,52)(H,45,53)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-/m0/s1 | PDB
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| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50064751
(CHEMBL3403780)Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H32N2O2/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-24)25-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22H,4,8,15-16,24H2,1-3H3,(H,25,26)/t17?,18-,22-/m0/s1 | PDB
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| | 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50554975
(CHEMBL4595209)Show SMILES COCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| | PDB
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| | 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50065915
(CHEMBL3401461)Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| Show InChI InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1 | PDB
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More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50610306
(CHEMBL5285428) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 487 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85086
(SFLLRN-OH)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C34H56N10O9/c1-18(2)13-23(30(49)40-22(11-8-12-39-34(37)38)29(48)44-26(33(52)53)16-27(36)46)42-31(50)24(14-19(3)4)43-32(51)25(41-28(47)21(35)17-45)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,45H,8,11-17,35H2,1-4H3,(H2,36,46)(H,40,49)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H,52,53)(H4,37,38,39)/t21-,22-,23-,24-,25-,26-/m0/s1 | PDB
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| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50064645
(CHEMBL3403768)Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/m0/s1 | PDB
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| | 612 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85090
(SFLLRNPNDKYEPF-OH)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#8])=O Show InChI InChI=1S/C81H118N20O23/c1-43(2)34-53(93-71(114)54(35-44(3)4)94-73(116)55(92-67(110)49(83)42-102)36-45-16-7-5-8-17-45)70(113)90-51(21-13-31-88-81(86)87)69(112)98-59(40-64(85)105)79(122)101-33-15-22-61(101)76(119)97-57(39-63(84)104)74(117)96-58(41-66(108)109)75(118)89-50(20-11-12-30-82)68(111)95-56(37-47-24-26-48(103)27-25-47)72(115)91-52(28-29-65(106)107)78(121)100-32-14-23-62(100)77(120)99-60(80(123)124)38-46-18-9-6-10-19-46/h5-10,16-19,24-27,43-44,49-62,102-103H,11-15,20-23,28-42,82-83H2,1-4H3,(H2,84,104)(H2,85,105)(H,89,118)(H,90,113)(H,91,115)(H,92,110)(H,93,114)(H,94,116)(H,95,111)(H,96,117)(H,97,119)(H,98,112)(H,99,120)(H,106,107)(H,108,109)(H,123,124)(H4,86,87,88) | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85088
(SFLLR-OH)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C30H50N8O7/c1-17(2)13-22(26(41)35-21(29(44)45)11-8-12-34-30(32)33)37-27(42)23(14-18(3)4)38-28(43)24(36-25(40)20(31)16-39)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,39H,8,11-16,31H2,1-4H3,(H,35,41)(H,36,40)(H,37,42)(H,38,43)(H,44,45)(H4,32,33,34)/t20-,21-,22-,23-,24-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062404
(Acetic acid (6S,8R,10R,13S,14S,17R)-17-acetyl-6,10...)Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19?,20-,22+,23-,24-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85072
(Galanin, Human)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |wU:212.220,131.139,139.152,71.79,166.175,182.187,54.57,211.217,20.25,37.39,112.114,97.99,155.160,wD:202.210,102.111,123.131,93.95,81.87,174.183,160.167,60.68,186.203,4.4,12.16,43.51,29.33,218.224,(13.66,18.44,;13.66,16.9,;12.32,16.13,;14.99,16.13,;14.99,14.59,;16.32,13.82,;17.86,14.59,;17.86,16.13,;19.2,13.82,;20.53,14.59,;22.07,13.82,;22.07,12.28,;23.4,14.59,;23.4,16.13,;22.07,16.9,;22.07,18.44,;20.74,16.13,;24.74,13.82,;26.28,14.59,;26.28,16.13,;27.61,13.82,;27.61,12.28,;28.95,11.51,;28.95,9.97,;30.28,9.2,;31.61,9.97,;28.95,14.59,;30.49,13.82,;30.49,12.28,;31.82,14.59,;31.82,16.13,;33.15,16.9,;33.15,18.44,;34.49,16.13,;33.15,13.82,;32.43,3.03,;32.43,1.49,;31.1,3.8,;31.1,5.34,;32.43,6.11,;29.76,3.03,;28.22,3.8,;28.22,5.34,;26.89,3.03,;26.89,1.49,;28.22,.72,;28.22,-.82,;29.56,-1.59,;30.89,-.82,;30.89,.72,;29.56,1.49,;25.56,3.8,;24.02,3.03,;24.02,1.49,;22.68,3.8,;22.68,5.34,;24.02,6.11,;21.35,3.03,;19.81,3.8,;19.81,5.34,;18.47,3.03,;18.47,1.49,;19.81,.72,;19.81,-.82,;21.14,-1.59,;22.48,-.82,;23.81,-1.59,;22.48,.72,;17.14,3.8,;15.6,3.03,;15.6,1.49,;14.27,3.8,;14.27,5.34,;15.6,6.11,;17.01,5.49,;18.04,6.63,;17.27,7.97,;15.76,7.65,;12.93,3.03,;11.39,3.8,;11.39,5.34,;10.06,3.03,;10.06,1.49,;11.39,.72,;11.39,-.82,;12.73,1.49,;8.73,3.8,;7.19,3.03,;7.19,1.49,;5.85,3.8,;4.52,3.03,;5.24,-7.75,;5.24,-9.29,;6.57,-6.98,;7.91,-7.75,;9.45,-6.98,;9.45,-5.44,;10.78,-7.75,;10.78,-9.29,;12.12,-6.98,;13.66,-7.75,;13.66,-9.29,;14.99,-6.98,;14.99,-5.44,;13.66,-4.67,;12.25,-5.29,;11.22,-4.15,;11.99,-2.81,;13.49,-3.13,;16.32,-7.75,;17.66,-6.98,;17.66,-5.44,;18.99,-7.75,;19.15,-9.28,;20.66,-9.6,;21.43,-8.26,;20.4,-7.12,;20.72,-5.61,;19.57,-4.58,;22.18,-5.14,;23.33,-6.17,;24.79,-5.69,;25.11,-4.19,;25.94,-6.72,;27.4,-6.25,;27.72,-4.74,;29.19,-4.26,;26.58,-3.71,;25.62,-8.23,;26.76,-9.26,;28.22,-8.78,;26.44,-10.77,;24.98,-11.24,;24.65,-12.75,;23.19,-13.22,;25.8,-13.78,;27.58,-11.8,;29.05,-11.32,;29.37,-9.81,;30.19,-12.35,;29.87,-13.86,;31.02,-14.89,;30.7,-16.39,;31.84,-17.42,;33.31,-16.95,;34.45,-17.98,;33.63,-15.44,;32.48,-14.41,;31.66,-11.87,;31.98,-10.37,;30.83,-9.34,;33.44,-9.89,;33.76,-8.39,;35.23,-7.91,;35.55,-6.4,;36.37,-8.94,;36.05,-10.45,;37.84,-8.46,;38.98,-9.49,;38.66,-11,;40.45,-9.02,;40.77,-7.51,;42.23,-7.04,;41.59,-10.05,;43.06,-9.57,;43.38,-8.07,;44.2,-10.6,;43.88,-12.11,;45.02,-13.14,;44.7,-14.65,;46.49,-12.66,;45.66,-10.13,;45.98,-8.62,;44.84,-7.59,;47.45,-8.15,;47.77,-6.64,;46.62,-5.61,;46.94,-4.1,;45.16,-6.08,;48.59,-9.18,;50.06,-8.7,;50.38,-7.19,;51.2,-9.73,;52.67,-9.25,;53.81,-10.29,;53.49,-11.79,;55.28,-9.81,;55.6,-8.3,;57.06,-7.83,;58.3,-8.73,;59.54,-7.83,;59.07,-6.37,;59.85,-5.04,;59.08,-3.71,;57.54,-3.7,;56.77,-5.04,;57.53,-6.37,;56.42,-10.84,;56.1,-12.35,;54.64,-12.82,;57.25,-13.38,;56.93,-14.88,;50.88,-11.24,;49.42,-11.71,;52.03,-12.27,;6.57,-5.44,;5.24,-4.67,;7.91,-4.67,;13.66,13.82,;13.66,12.28,;12.12,14.59,;10.78,13.82,;10.78,12.28,;12.12,11.51,;9.45,11.51,;9.45,14.59,;9.45,16.13,;7.91,13.82,;6.57,14.59,;6.57,16.13,;5.24,16.9,;5.24,13.82,;3.91,14.59,;5.24,12.28,)| Show InChI InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1 | PDB
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| PC cid
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85089
(FSLLRN-NH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O Show InChI InChI=1S/C34H57N11O8/c1-18(2)13-24(31(51)41-22(11-8-12-40-34(38)39)30(50)42-23(28(37)48)16-27(36)47)43-32(52)25(14-19(3)4)44-33(53)26(17-46)45-29(49)21(35)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,46H,8,11-17,35H2,1-4H3,(H2,36,47)(H2,37,48)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,49)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM82076
(Bradykinin | CAS_58-82-2 | NSC_105044)Show SMILES [#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#8])=O Show InChI InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM82077
(Angiotensin II | CAS_11128-99-7 | NSC_439662)Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)| Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63) | PDB
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Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM85084
(CAS_190383-13-2 | SLIGKV-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C28H54N8O7/c1-7-17(6)23(36-27(42)20(12-15(2)3)34-25(40)18(30)14-37)28(43)32-13-21(38)33-19(10-8-9-11-29)26(41)35-22(16(4)5)24(31)39/h15-20,22-23,37H,7-14,29-30H2,1-6H3,(H2,31,39)(H,32,43)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t17-,18-,19-,20-,22-,23-/m0/s1 | PDB
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Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
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Schering-Plough Research Institute
Curated by PDSP Ki Database
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Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM81828
(CAS_37221-79-7 | VIP(4-28) | Vasoactive intestinal...)Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O |(16.32,19.93,;16.32,18.39,;17.66,17.62,;18.99,18.39,;17.66,16.08,;18.99,15.31,;20.53,16.08,;20.53,17.62,;21.86,15.31,;21.86,13.77,;20.53,13,;23.2,16.08,;24.74,15.31,;24.74,13.77,;26.07,16.08,;26.07,17.62,;24.74,18.39,;24.74,19.93,;23.4,17.62,;27.41,15.31,;28.95,16.08,;28.95,17.62,;30.28,15.31,;30.28,13.77,;28.95,13,;28.95,11.46,;27.61,13.77,;31.61,16.08,;33.15,15.31,;33.15,13.77,;34.49,16.08,;34.49,17.62,;35.82,18.39,;37.15,17.62,;38.49,18.39,;38.49,19.93,;39.82,20.7,;37.15,20.7,;35.82,19.93,;35.82,15.31,;35.1,4.53,;35.1,2.99,;33.76,5.3,;33.76,6.84,;35.1,7.61,;36.43,6.84,;37.77,7.61,;39.1,6.84,;32.43,4.53,;30.89,5.3,;30.89,6.84,;29.56,4.53,;29.56,2.99,;30.89,2.22,;30.89,.68,;32.22,-.09,;33.56,.68,;28.22,5.3,;26.68,4.53,;26.68,2.99,;25.35,5.3,;24.02,4.53,;22.48,5.3,;22.48,6.84,;21.14,4.53,;21.14,2.99,;19.81,5.3,;18.27,4.53,;18.27,2.99,;16.93,5.3,;16.93,6.84,;18.27,7.61,;18.27,9.15,;16.93,9.92,;15.6,4.53,;14.06,5.3,;14.06,6.84,;12.73,4.53,;12.73,2.99,;14.06,2.22,;14.06,.68,;12.73,-.09,;15.39,-.09,;11.39,5.3,;9.85,4.53,;9.85,2.99,;8.52,5.3,;8.52,6.84,;7.19,7.61,;7.19,9.15,;5.85,9.92,;4.52,9.15,;7.19,4.53,;7.91,-6.25,;7.91,-7.79,;9.24,-5.48,;9.24,-3.94,;7.91,-3.17,;7.91,-1.63,;6.57,-.86,;5.24,-1.63,;3.91,-.86,;5.24,-3.17,;10.58,-6.25,;12.12,-5.48,;12.12,-3.94,;13.45,-6.25,;13.45,-7.79,;12.12,-8.56,;12.12,-10.1,;10.78,-7.79,;14.78,-5.48,;16.32,-6.25,;16.32,-7.79,;17.66,-5.48,;17.66,-3.94,;16.32,-3.17,;16.32,-1.63,;17.66,-.86,;17.66,.68,;18.99,1.45,;16.32,1.45,;18.99,-6.25,;20.53,-5.48,;20.53,-3.94,;21.86,-6.25,;23.2,-5.48,;24.74,-6.25,;24.74,-7.79,;26.07,-5.48,;26.07,-3.94,;24.74,-3.17,;24.74,-1.63,;23.4,-.86,;22.07,-1.63,;20.74,-.86,;22.07,-3.17,;23.4,-3.94,;27.41,-6.25,;28.95,-5.48,;28.95,-3.94,;30.28,-6.25,;30.28,-7.79,;28.95,-8.56,;28.95,-10.1,;27.61,-7.79,;31.61,-5.48,;33.15,-6.25,;33.15,-7.79,;34.49,-5.48,;34.49,-3.94,;35.82,-3.17,;35.82,-1.63,;37.15,-3.94,;35.82,-6.25,;35.1,-17.03,;35.1,-18.57,;33.76,-16.26,;32.43,-17.03,;30.89,-16.26,;30.89,-14.72,;29.56,-17.03,;29.56,-18.57,;30.89,-19.34,;30.89,-20.88,;32.22,-21.65,;33.56,-20.88,;33.56,-19.34,;32.22,-18.57,;28.22,-16.26,;26.68,-17.03,;26.68,-18.57,;25.35,-16.26,;24.02,-17.03,;22.48,-16.26,;22.48,-14.72,;21.14,-17.03,;21.14,-18.57,;19.81,-16.26,;18.27,-17.03,;18.27,-18.57,;16.93,-16.26,;16.93,-14.72,;18.27,-13.95,;18.27,-12.41,;19.6,-14.72,;15.6,-17.03,;14.06,-16.26,;14.06,-14.72,;12.73,-17.03,;12.73,-18.57,;14.06,-19.34,;11.39,-16.26,;9.85,-17.03,;9.85,-18.57,;8.52,-16.26,;7.19,-17.03,;8.52,-14.72,;7.19,-13.95,;7.03,-12.42,;5.52,-12.1,;4.75,-13.43,;5.78,-14.58,;25.35,-14.72,;26.68,-13.95,;24.02,-13.95,;33.76,-14.72,;32.43,-13.95,;35.1,-13.95,;21.86,-7.79,;23.2,-8.56,;20.53,-8.56,;25.35,6.84,;26.68,7.61,;24.02,7.61,;16.32,15.31,;16.32,13.77,;14.78,16.08,;13.45,15.31,;13.45,13.77,;12.12,13,;12.12,11.46,;10.78,13.77,;12.12,16.08,;12.12,17.62,;10.58,15.31,;9.24,16.08,;9.24,17.62,;7.91,18.39,;7.91,19.93,;6.57,17.62,;7.91,15.31,;6.57,16.08,;7.91,13.77,)| Show InChI InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 350-6 (1997)
Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) preincubated for 45 mins followed by substrate addition measured after 0.5 hrs by IMAP assay |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458811
(CHEMBL4209570)Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)[C@@]3(CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncn(C)n4)C3)SC)cc12 |r,c:29| Show InChI InChI=1S/C35H37N9O3S/c1-42-22-37-33(41-42)25-6-4-23(5-7-25)24-11-15-44(16-12-24)31(45)20-43-17-13-35(21-43,48-3)34(46)38-27-8-9-29-28(19-27)32(40-39-29)26-10-14-36-30(18-26)47-2/h4-11,14,18-19,22H,12-13,15-17,20-21H2,1-3H3,(H,38,46)(H,39,40)/t35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103295
(US8546404, 462)Show SMILES CO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O3/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103293
(US8546404, 480)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O3/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458805
(CHEMBL4206960)Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)[C@@]3(CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncccn4)C3)SC)cc12 |r,c:29| Show InChI InChI=1S/C36H36N8O3S/c1-47-31-20-27(10-16-37-31)33-29-21-28(8-9-30(29)41-42-33)40-35(46)36(48-2)13-19-43(23-36)22-32(45)44-17-11-25(12-18-44)24-4-6-26(7-5-24)34-38-14-3-15-39-34/h3-11,14-16,20-21H,12-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458806
(CHEMBL4205192)Show SMILES CCNc1nnc(o1)-c1ccc(cc1)C1=CCN(CC1)C(=O)CN1CC[C@@](C1)(SC)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,t:16| Show InChI InChI=1S/C36H37FN8O3S/c1-3-38-35-43-42-33(48-35)26-6-4-23(5-7-26)24-14-17-45(18-15-24)31(46)21-44-19-16-36(22-44,49-2)34(47)39-28-12-13-30-29(20-28)32(41-40-30)25-8-10-27(37)11-9-25/h4-14,20H,3,15-19,21-22H2,1-2H3,(H,38,43)(H,39,47)(H,40,41)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461920
(CHEMBL4225841)Show SMILES Fc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)[C@@H]3CCN(CC(=O)N4CCN(CC4)c4ccc(cc4)-c4ncccn4)C3)cc12 |r| Show InChI InChI=1S/C34H33FN8O2/c35-26-6-2-23(3-7-26)32-29-20-27(8-11-30(29)39-40-32)38-34(45)25-12-15-41(21-25)22-31(44)43-18-16-42(17-19-43)28-9-4-24(5-10-28)33-36-13-1-14-37-33/h1-11,13-14,20,25H,12,15-19,21-22H2,(H,38,45)(H,39,40)/t25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458802
(CHEMBL4215228)Show SMILES CS[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458802
(CHEMBL4215228)Show SMILES CS[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461917
(CHEMBL4225054)Show SMILES FCC1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C35H34F2N8O2/c36-22-35(34(47)40-27-8-11-30-29(20-27)32(42-41-30)24-2-6-26(37)7-3-24)12-15-43(23-35)21-31(46)45-18-16-44(17-19-45)28-9-4-25(5-10-28)33-38-13-1-14-39-33/h1-11,13-14,20H,12,15-19,21-23H2,(H,40,47)(H,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458807
(CHEMBL4216900)Show SMILES CCNc1ncc(s1)-c1ccc(cc1)C1=CCN(CC1)C(=O)CN1CC[C@@](C1)(SC)C(=O)Nc1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r,t:16| Show InChI InChI=1S/C37H40N8O2S2/c1-4-38-36-40-21-32(49-36)27-7-5-25(6-8-27)26-12-16-45(17-13-26)33(46)22-44-18-14-37(23-44,48-3)35(47)41-29-9-10-31-30(20-29)34(43-42-31)28-11-15-39-24(2)19-28/h5-12,15,19-21H,4,13-14,16-18,22-23H2,1-3H3,(H,38,40)(H,41,47)(H,42,43)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103297
(US8546404, 613)Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O2S/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM103297
(US8546404, 613)Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O2S/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458803
(CHEMBL4213970)Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncn(C)n2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 |r,c:12| Show InChI InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50458811
(CHEMBL4209570)Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)[C@@]3(CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncn(C)n4)C3)SC)cc12 |r,c:29| Show InChI InChI=1S/C35H37N9O3S/c1-42-22-37-33(41-42)25-6-4-23(5-7-25)24-11-15-44(16-12-24)31(45)20-43-17-13-35(21-43,48-3)34(46)38-27-8-9-29-28(19-27)32(40-39-29)26-10-14-36-30(18-26)47-2/h4-11,14,18-19,22H,12-13,15-17,20-21H2,1-3H3,(H,38,46)(H,39,40)/t35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222017
(1R,3aR,4aS,8aS,9S,9aS)-6-(cyclopropylcarbonyl)-9-[...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12)C(=O)C1CC1 Show InChI InChI=1S/C29H31FN2O3/c1-17-27-24(11-10-21-9-8-19(15-31-21)23-4-2-3-5-26(23)30)22-12-13-32(28(33)18-6-7-18)16-20(22)14-25(27)29(34)35-17/h2-5,8-11,15,17-18,20,22,24-25,27H,6-7,12-14,16H2,1H3/b11-10+/t17-,20-,22-,24+,25-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222041
((1R,3aR,4aS,8aS,9S,9aS)-ethyl decahydro-1-methyl-3...)Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2ccccc2F)C1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-13-12-21-19(16-31)14-24-26(17(2)35-27(24)32)23(21)11-10-20-9-8-18(15-30-20)22-6-4-5-7-25(22)29/h4-11,15,17,19,21,23-24,26H,3,12-14,16H2,1-2H3/b11-10+/t17-,19-,21-,23+,24-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461929
(CHEMBL4226533)Show SMILES CCO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C36H37FN8O3/c1-2-48-36(35(47)40-28-10-13-31-30(22-28)33(42-41-31)25-4-8-27(37)9-5-25)14-17-43(24-36)23-32(46)45-20-18-44(19-21-45)29-11-6-26(7-12-29)34-38-15-3-16-39-34/h3-13,15-16,22H,2,14,17-21,23-24H2,1H3,(H,40,47)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222015
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222030
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 Show InChI InChI=1S/C29H31F3N2O4/c1-3-37-28(36)34-12-11-23-20(16-34)14-25-26(17(2)38-27(25)35)24(23)10-9-22-8-7-19(15-33-22)18-5-4-6-21(13-18)29(30,31)32/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1 | PDB
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461933
(CHEMBL4228552)Show SMILES CS(=O)(=O)[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:14| Show InChI InChI=1S/C36H34FN7O4S/c1-49(47,48)36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
NCI pathway
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 |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458813
(CHEMBL4218701)Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc4OCOc4c3)c2c1 |r,c:12| Show InChI InChI=1S/C37H35N7O4S/c1-49-37(36(46)40-28-8-9-30-29(20-28)34(42-41-30)27-7-10-31-32(19-27)48-23-47-31)13-18-43(22-37)21-33(45)44-16-11-25(12-17-44)24-3-5-26(6-4-24)35-38-14-2-15-39-35/h2-11,14-15,19-20H,12-13,16-18,21-23H2,1H3,(H,40,46)(H,41,42)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50458812
(CHEMBL4209049)Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 |r,c:12| Show InChI InChI=1S/C38H40N8O3S/c1-25(2)49-33-12-9-29(22-41-33)35-31-21-30(10-11-32(31)43-44-35)42-37(48)38(50-3)15-20-45(24-38)23-34(47)46-18-13-27(14-19-46)26-5-7-28(8-6-26)36-39-16-4-17-40-36/h4-13,16-17,21-22,25H,14-15,18-20,23-24H2,1-3H3,(H,42,48)(H,43,44)/t38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay |
ACS Med Chem Lett 9: 761-767 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00220
BindingDB Entry DOI: 10.7270/Q2HX1G9S |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222026
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2-chloropheny...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)[C@H]12 Show InChI InChI=1S/C25H26ClNO3/c1-15-24-21(19-10-11-29-14-17(19)12-22(24)25(28)30-15)9-8-18-7-6-16(13-27-18)20-4-2-3-5-23(20)26/h2-9,13,15,17,19,21-22,24H,10-12,14H2,1H3/b9-8+/t15-,17-,19-,21+,22-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461923
(CHEMBL4229079)Show SMILES OC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O3/c37-28-8-6-26(7-9-28)33-30-20-29(10-11-31(30)41-42-33)40-35(47)36(23-45)14-19-43(22-36)21-32(46)44-17-12-25(13-18-44)24-2-4-27(5-3-24)34-38-15-1-16-39-34/h1-12,15-16,20,45H,13-14,17-19,21-23H2,(H,40,47)(H,41,42)/t36-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222022
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluoropheny...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)S(C)(=O)=O Show InChI InChI=1S/C26H29FN2O4S/c1-16-25-23(9-8-21-7-6-18(14-28-21)17-4-3-5-20(27)12-17)22-10-11-29(34(2,31)32)15-19(22)13-24(25)26(30)33-16/h3-9,12,14,16,19,22-25H,10-11,13,15H2,1-2H3/b9-8+/t16-,19-,22-,23+,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222043
((1R,3aR,4aS,8aS,9S,9aS)-6-(cyclopropylcarbonyl)-9-...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)C(=O)C1CC1 Show InChI InChI=1S/C29H31FN2O3/c1-17-27-25(10-9-23-8-7-20(15-31-23)19-3-2-4-22(30)13-19)24-11-12-32(28(33)18-5-6-18)16-21(24)14-26(27)29(34)35-17/h2-4,7-10,13,15,17-18,21,24-27H,5-6,11-12,14,16H2,1H3/b10-9+/t17-,21-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50461928
(CHEMBL4224792)Show SMILES Fc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)[C@@H]3CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncccn4)C3)cc12 |r,c:28| Show InChI InChI=1S/C35H32FN7O2/c36-28-8-6-25(7-9-28)33-30-20-29(10-11-31(30)40-41-33)39-35(45)27-12-17-42(21-27)22-32(44)43-18-13-24(14-19-43)23-2-4-26(5-3-23)34-37-15-1-16-38-34/h1-11,13,15-16,20,27H,12,14,17-19,21-22H2,(H,39,45)(H,40,41)/t27-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 28: 2029-2034 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.063
BindingDB Entry DOI: 10.7270/Q25H7JW8 |
More data for this
Ligand-Target Pair | |
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