BDBM50079481 Arginyl Ketomethylene analogue::CHEMBL267326

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)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](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=GVBMSKWSAOPLBC-LBNUKPJUSA-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 = 50079481   

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))	BDBM50079481 (Arginyl Ketomethylene analogue | CHEMBL267326) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)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](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C63H91N11O24/c1-5-32(2)52(72-60(94)46-14-9-27-73(46)61(95)40(21-25-49(81)82)68-56(90)43(30-36-15-17-37(76)18-16-36)71-58(92)44(31-51(85)86)65-34(4)75)62(96)74-28-10-13-45(74)59(93)67-39(20-24-48(79)80)55(89)66-38(19-23-47(77)78)54(88)64-33(3)53(87)70-42(29-35-11-7-6-8-12-35)57(91)69-41(63(97)98)22-26-50(83)84/h15-18,32-33,35,38-46,52,76H,5-14,19-31H2,1-4H3,(H,64,88)(H,65,75)(H,66,89)(H,67,93)(H,68,90)(H,69,91)(H,70,87)(H,71,92)(H,72,94)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,97,98)/t32-,33+,38+,39+,40+,41-,42+,43+,44+,45+,46+,52+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	135	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
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