BDBM50120021 2-{[2-(6-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-(hydroxy-methoxy-phosphoryl)-propionic acid::CHEMBL104014

SMILES: COP(O)(=O)CC(NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(O)=O

InChI Key: InChIKey=XQOHQQNCVBYDIT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50120021   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50120021 (2-{[2-(6-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES COP(O)(=O)CC(NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(O)=O Show InChI InChI=1S/C22H23N6O7P/c1-28-17-8-12(21(30)27-16(22(31)32)10-36(33,34)35-2)4-6-14(17)26-19(28)9-18-24-13-5-3-11(20(23)29)7-15(13)25-18/h3-8,16H,9-10H2,1-2H3,(H2,23,29)(H,24,25)(H,27,30)(H,31,32)(H,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50120021 (2-{[2-(6-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES COP(O)(=O)CC(NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(O)=O Show InChI InChI=1S/C22H23N6O7P/c1-28-17-8-12(21(30)27-16(22(31)32)10-36(33,34)35-2)4-6-14(17)26-19(28)9-18-24-13-5-3-11(20(23)29)7-15(13)25-18/h3-8,16H,9-10H2,1-2H3,(H2,23,29)(H,24,25)(H,27,30)(H,31,32)(H,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair