BDBM50439480 CHEMBL2417900

SMILES: CC(C)(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(OC2CCC2)nc1C(=O)Nc1ccc2c(N)nccc2c1

InChI Key: InChIKey=HFSBCRPYYWEFJA-UHFFFAOYSA-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 = 50439480   

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
Coagulation factor VII (Homo sapiens (Human))	BDBM50439480 (CHEMBL2417900) Show SMILES CC(C)(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(OC2CCC2)nc1C(=O)Nc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C32H33N5O5/c1-32(2,3)17-35-29(38)19-7-9-23(25(16-19)31(40)41)24-11-12-26(42-21-5-4-6-21)37-27(24)30(39)36-20-8-10-22-18(15-20)13-14-34-28(22)33/h7-16,21H,4-6,17H2,1-3H3,(H2,33,34)(H,35,38)(H,36,39)(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	499	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins				Bioorg Med Chem Lett 23: 5239-43 (2013) Article DOI: 10.1016/j.bmcl.2013.06.028 BindingDB Entry DOI: 10.7270/Q2CC123C
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