BDBM50215315 CHEMBL100843

SMILES: CCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1

InChI Key: InChIKey=MKOSJIICDIMSBH-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 = 50215315   

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))	BDBM50215315 (CHEMBL100843) Show SMILES CCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C25H27N5O2/c1-2-21-16-29-24(27-12-10-18-6-4-3-5-7-18)25(32)30(21)17-23(31)28-15-19-8-9-22-20(14-19)11-13-26-22/h3-9,11,13-14,16,26H,2,10,12,15,17H2,1H3,(H,27,29)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	24	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