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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50079487   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50079487
PNG
(Arginyl Ketomethylene analogue | CHEMBL415358)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CSCC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C97H136N22O33S/c1-6-52(4)83(95(150)119-39-15-22-70(119)93(148)112-61(30-35-80(133)134)85(140)109-60(29-34-79(131)132)86(141)115-66(42-56-23-25-57(121)26-24-56)90(145)114-64(40-51(2)3)88(143)113-63(96(151)152)27-32-72(98)123)117-87(142)62(31-36-81(135)136)110-84(139)59(28-33-78(129)130)111-89(144)65(41-54-16-9-7-10-17-54)116-91(146)67(44-82(137)138)107-76(127)48-104-74(125)46-102-73(124)45-103-75(126)47-105-77(128)50-153-49-71(122)58(20-13-37-101-97(99)100)108-92(147)69-21-14-38-118(69)94(149)68(106-53(5)120)43-55-18-11-8-12-19-55/h7-12,16-19,23-26,51-52,58-70,83,121H,6,13-15,20-22,27-50H2,1-5H3,(H2,98,123)(H,102,124)(H,103,126)(H,104,125)(H,105,128)(H,106,120)(H,107,127)(H,108,147)(H,109,140)(H,110,139)(H,111,144)(H,112,148)(H,113,143)(H,114,145)(H,115,141)(H,116,146)(H,117,142)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,151,152)(H4,99,100,101)/t52-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68-,69+,70+,83+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.06n/an/an/an/an/an/an/an/a



National Research Council Canada

Curated by ChEMBL


Assay Description
Inhibitory constant against thrombin


J Med Chem 42: 3109-15 (1999)


Article DOI: 10.1021/jm9807297
BindingDB Entry DOI: 10.7270/Q2VQ31WT
More data for this
Ligand-Target Pair