BDBM50100972 CHEMBL98152

SMILES: Cc1cnc(NCCc2ccc3CCCc3c2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1

InChI Key: InChIKey=IURKUCAZQFRGML-UHFFFAOYSA-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 = 50100972   

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))	BDBM50100972 (CHEMBL98152) Show SMILES Cc1cnc(NCCc2ccc3CCCc3c2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C7H6Cl3N3/c8-4-1-3(13-7(11)12)2-5(9)6(4)10/h1-2H,(H4,11,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate				Bioorg Med Chem Lett 12: 2925-30 (2002) BindingDB Entry DOI: 10.7270/Q27946WJ
					More data for this Ligand-Target Pair