BDBM50103860 2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::2-{[2-(6-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL421708

SMILES: Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O

InChI Key: InChIKey=PEXFKSJDXSBOLP-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50103860   

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)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	200	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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70E+5	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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against hepatitis C virus (HCV) NS3 protease in the absence of Zn2+				Bioorg Med Chem Lett 11: 2355-9 (2001) BindingDB Entry DOI: 10.7270/Q2N015TQ
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.				Bioorg Med Chem Lett 11: 2355-9 (2001) BindingDB Entry DOI: 10.7270/Q2N015TQ
					More data for this Ligand-Target Pair