BDBM50079490 Arginyl Ketomethylene analogue::CHEMBL437999

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)CN(C)CC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)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

InChI Key: InChIKey=FBBVTBGGZPIBCF-MDISNIKVSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079490   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50079490 (Arginyl Ketomethylene analogue | CHEMBL437999) 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)CN(C)CC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)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/C96H137N23O32/c1-6-52(4)82(94(149)119-39-15-22-69(119)92(147)111-61(30-35-79(132)133)84(139)108-60(29-34-78(130)131)85(140)114-66(43-55-23-25-56(120)26-24-55)89(144)113-64(40-51(2)3)87(142)112-63(95(150)151)27-32-71(98)122)116-86(141)62(31-36-80(134)135)109-83(138)59(28-33-77(128)129)110-88(143)65(42-54-18-11-8-12-19-54)115-90(145)67(44-81(136)137)106-75(126)48-104-73(124)46-102-72(123)45-103-74(125)47-105-76(127)50-117(5)49-70(121)58(20-13-37-101-96(99)100)107-91(146)68-21-14-38-118(68)93(148)57(97)41-53-16-9-7-10-17-53/h7-12,16-19,23-26,51-52,57-69,82,120H,6,13-15,20-22,27-50,97H2,1-5H3,(H2,98,122)(H,102,123)(H,103,125)(H,104,124)(H,105,127)(H,106,126)(H,107,146)(H,108,139)(H,109,138)(H,110,143)(H,111,147)(H,112,142)(H,113,144)(H,114,140)(H,115,145)(H,116,141)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,150,151)(H4,99,100,101)/t52-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,82+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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