BDBM243456 US9427440, 1

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O

InChI Key: InChIKey=UOBYJVFBFSLCTQ-UHFFFAOYSA-N

Data: 2 IC50  11 Kd  1 EC50  11 K_off  11 K_on

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 15 hits for monomerid = 243456   

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
Genome polyprotein [1027-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,C2735L] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.20	n/a	0.0000760	3.50E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.40	n/a	n/a	n/a	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	n/a	0.0000900	2.00E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.20	n/a	0.000100	2.00E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.40	n/a	0.0000900	2.00E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,P2914L] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.80E+3	n/a	0.0220	5.90E+3	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,L2811I] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.50E+3	n/a	0.000970	1.80E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,P2914L] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.40E+3	n/a	0.0220	3.40E+3	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,V2913A] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.50E+3	n/a	0.000840	5.50E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,M2833T] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.90	n/a	0.000150	2.60E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,M2842T] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.30	n/a	0.000150	2.50E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010,S2701T] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.90	n/a	0.000130	3.40E+4	7.4	25
Janssen Sciences Ireland UC US Patent					Assay Description All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5BΔC21 polymerases were immobilized us...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair