BDBM50439476 CHEMBL2417892

SMILES: COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1cccc(c1)C(N)=O

InChI Key: InChIKey=XJUHHLPHKIHHLF-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 = 50439476   

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))	BDBM50439476 (CHEMBL2417892) Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1cccc(c1)C(N)=O Show InChI InChI=1S/C27H28N4O6/c1-27(2,3)14-29-24(33)16-8-9-18(20(13-16)26(35)36)19-10-11-21(37-4)31-22(19)25(34)30-17-7-5-6-15(12-17)23(28)32/h5-13H,14H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)(H,35,36)	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	265	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
					More data for this Ligand-Target Pair