BDBM50079477 Arginyl Ketomethylene analogue::CHEMBL408556

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](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=MVGVSVAXZNMRSG-VUWKHUPDSA-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 = 50079477   

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))	BDBM50079477 (Arginyl Ketomethylene analogue | CHEMBL408556) 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](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C68H93N11O25/c1-4-35(2)57(77-65(100)51-13-8-28-78(51)66(101)44(24-27-54(87)88)72-60(95)46(31-38-14-18-40(81)19-15-38)75-63(98)48(33-55(89)90)69-36(3)80)67(102)79-29-9-12-50(79)64(99)71-43(23-26-53(85)86)58(93)70-42(22-25-52(83)84)59(94)73-47(32-39-16-20-41(82)21-17-39)61(96)74-45(30-37-10-6-5-7-11-37)62(97)76-49(68(103)104)34-56(91)92/h14-21,35,37,42-51,57,81-82H,4-13,22-34H2,1-3H3,(H,69,80)(H,70,93)(H,71,99)(H,72,95)(H,73,94)(H,74,96)(H,75,98)(H,76,97)(H,77,100)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,103,104)/t35-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,57+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	280	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