BDBM50062620 (S)-1-(2,3-Diphenyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide::CHEMBL341171

SMILES: NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(Cc2ccccc2)c2ccccc2)CC1

InChI Key: InChIKey=JBWQROHYBATLJN-QWQZLFKVSA-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 = 50062620   

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))	BDBM50062620 ((S)-1-(2,3-Diphenyl-propionyl)-pyrrolidine-2-carbo...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(Cc2ccccc2)c2ccccc2)CC1 |wU:9.8,(11.99,-2.8,;11.43,-4.24,;11.41,-5.69,;12.71,-7.34,;11.52,-8.67,;11.93,-10.16,;11.31,-11.56,;9.77,-11.72,;9.14,-13.13,;8.88,-10.47,;9.35,-9,;8.11,-8.11,;6.86,-9,;7.34,-10.47,;6.43,-11.72,;7.05,-13.13,;4.9,-11.56,;4.27,-10.15,;2.73,-10,;1.85,-11.24,;.31,-11.08,;-.32,-9.66,;.59,-8.42,;2.12,-8.58,;3.99,-12.8,;4.62,-14.2,;3.71,-15.45,;2.19,-15.29,;1.57,-13.88,;2.47,-12.64,;11.52,-7.13,;10.24,-5.57,)| Show InChI InChI=1S/C27H35N3O2/c28-23-15-13-21(14-16-23)19-29-26(31)25-12-7-17-30(25)27(32)24(22-10-5-2-6-11-22)18-20-8-3-1-4-9-20/h1-6,8-11,21,23-25H,7,12-19,28H2,(H,29,31)/t21?,23?,24?,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin-catalyzed hydrolysis of a standard substrate				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair