BDBM50301572 (2S,3aS,7aS)-N-(4-carbamimidoylbenzyl)-1-((R)-3,3-dicyclohexyl-2-((R)-2-hydroxy-3-phenylpropanamido)propanoyl)octahydro-1H-indole-2-carboxamide::CHEMBL567464

SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](NC(=O)[C@H](O)Cc2ccccc2)C(C2CCCCC2)C2CCCCC2)cc1

InChI Key: InChIKey=AQAMWEYARMIAPS-DVEMFWCFSA-N

Data: 1 IC50

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 = 50301572   

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))	BDBM50301572 ((2S,3aS,7aS)-N-(4-carbamimidoylbenzyl)-1-((R)-3,3-...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](NC(=O)[C@H](O)Cc2ccccc2)C(C2CCCCC2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C41H57N5O4/c42-38(43)31-22-20-28(21-23-31)26-44-39(48)34-25-32-18-10-11-19-33(32)46(34)41(50)37(45-40(49)35(47)24-27-12-4-1-5-13-27)36(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1,4-5,12-13,20-23,29-30,32-37,47H,2-3,6-11,14-19,24-26H2,(H3,42,43)(H,44,48)(H,45,49)/t32-,33-,34-,35+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 19: 5429-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.107 BindingDB Entry DOI: 10.7270/Q2MP53BQ
					More data for this Ligand-Target Pair