BDBM50176241 (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-((E)-3-(4-methyl-1H-imidazol-5-yl)allyl)pyrrolidine-2-carboxamide::CHEMBL200153

SMILES: Cc1nc[nH]c1C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=MBNKUMIZUGCXRO-UKILVPOCSA-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 = 50176241   

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))	BDBM50176241 ((S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-((E)-3...) Show SMILES Cc1nc[nH]c1C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 |w:7.8| Show InChI InChI=1S/C27H31N5O2/c1-19-22(31-18-30-19)14-8-16-29-26(33)23-15-9-17-32(23)27(34)25(28)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-8,10-14,18,23-25H,9,15-17,28H2,1H3,(H,29,33)(H,30,31)/t23-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to thrombin				Bioorg Med Chem Lett 16: 338-42 (2005) Article DOI: 10.1016/j.bmcl.2005.09.083 BindingDB Entry DOI: 10.7270/Q20C4V99
					More data for this Ligand-Target Pair