BDBM50062631 (S)-1-(3-Phenyl-heptanoyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide::CHEMBL334727

SMILES: CCCCC(CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)c1ccccc1

InChI Key: InChIKey=YCRDUOBIMYIMRS-ZEVSTDPBSA-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 = 50062631   

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))	BDBM50062631 ((S)-1-(3-Phenyl-heptanoyl)-pyrrolidine-2-carboxyli...) Show SMILES CCCCC(CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)c1ccccc1 |wU:12.13,(-.6,-12.34,;.31,-11.1,;1.84,-11.24,;2.74,-10,;4.27,-10.15,;4.9,-11.56,;6.43,-11.72,;7.05,-13.13,;7.34,-10.47,;6.71,-8.91,;8.11,-8.11,;9.35,-9.01,;8.88,-10.47,;9.77,-11.72,;9.15,-13.13,;11.31,-11.56,;11.93,-10.16,;11.52,-8.67,;12.71,-7.34,;11.41,-5.69,;11.43,-4.24,;11.99,-2.8,;10.24,-5.57,;11.52,-7.13,;5.17,-8.91,;3.83,-8.16,;3.83,-6.6,;5.16,-5.84,;6.49,-6.6,;6.5,-8.13,)| Show InChI InChI=1S/C25H39N3O2/c1-2-3-8-21(20-9-5-4-6-10-20)17-24(29)28-16-7-11-23(28)25(30)27-18-19-12-14-22(26)15-13-19/h4-6,9-10,19,21-23H,2-3,7-8,11-18,26H2,1H3,(H,27,30)/t19?,21?,22?,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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