BDBM50210427 (2S,3aS,7aS)-1-[2-cyclohexyl-2-((R)-2-hydroxy-3-phenyl-propionylamino)-acetyl]-octahydro-indole-2-carboxylic acid 4-carbamimidoyl-benzylamide::CHEMBL392197

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

InChI Key: InChIKey=DCNVUHVHEPXIIJ-HFXSEVENSA-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 = 50210427   

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))	BDBM50210427 ((2S,3aS,7aS)-1-[2-cyclohexyl-2-((R)-2-hydroxy-3-ph...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)C(NC(=O)[C@H](O)Cc2ccccc2)C2CCCCC2)cc1 |w:22.24| Show InChI InChI=1S/C34H45N5O4/c35-31(36)25-17-15-23(16-18-25)21-37-32(41)28-20-26-13-7-8-14-27(26)39(28)34(43)30(24-11-5-2-6-12-24)38-33(42)29(40)19-22-9-3-1-4-10-22/h1,3-4,9-10,15-18,24,26-30,40H,2,5-8,11-14,19-21H2,(H3,35,36)(H,37,41)(H,38,42)/t26-,27-,28-,29+,30?/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
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 17: 3480-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.075 BindingDB Entry DOI: 10.7270/Q25M65FJ
					More data for this Ligand-Target Pair