BDBM50167834 2-[(2-{6-[3-Amino-5-((R)-sec-butylcarbamoyl)-phenyl]-3-isopropylamino-2-oxo-2H-pyrazin-1-yl}-acetylamino)-methyl]-5-carbamimidoyl-benzoic acid::CHEMBL363141

SMILES: CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(O)=O)C(N)=N

InChI Key: InChIKey=RNLRPBIZGQJIRZ-MRXNPFEDSA-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 = 50167834   

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))	BDBM50167834 (2-[(2-{6-[3-Amino-5-((R)-sec-butylcarbamoyl)-pheny...) Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(O)=O)C(N)=N Show InChI InChI=1S/C29H36N8O5/c1-5-16(4)36-27(39)20-8-19(9-21(30)10-20)23-13-34-26(35-15(2)3)28(40)37(23)14-24(38)33-12-18-7-6-17(25(31)32)11-22(18)29(41)42/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H,33,38)(H,34,35)(H,36,39)(H,41,42)/t16-/m1/s1	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	152	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Corp. Curated by ChEMBL					Assay Description Inhibitory concentration against Coagulation factor VIIa				Bioorg Med Chem Lett 15: 3006-11 (2005) Article DOI: 10.1016/j.bmcl.2005.04.037 BindingDB Entry DOI: 10.7270/Q2SB459T
					More data for this Ligand-Target Pair