Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'mchale' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Hepacivirus C)	BDBM50485494 (CHEMBL2063089) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@@]1([H])C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C39H51N5O9S/c1-6-24-20-39(24,36(47)43-54(49,50)27-13-14-27)42-34(45)30-19-26-21-44(30)35(46)33(38(2,3)4)41-37(48)53-31-17-22(31)10-8-7-9-11-29-32(52-26)18-23-16-25(51-5)12-15-28(23)40-29/h6,12,15-16,18,22,24,26-27,30-31,33H,1,7-11,13-14,17,19-21H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,26-,30+,31-,33-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485491 (CHEMBL2063088) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])CCCCCc1nc3ccc(OC)cc3cc1O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O9S/c1-6-26-22-41(26,38(49)45-56(51,52)29-16-17-29)44-36(47)32-21-28-23-46(32)37(48)35(40(2,3)4)43-39(50)55-33-14-10-12-24(33)11-8-7-9-13-31-34(54-28)20-25-19-27(53-5)15-18-30(25)42-31/h6,15,18-20,24,26,28-29,32-33,35H,1,7-14,16-17,21-23H2,2-5H3,(H,43,50)(H,44,47)(H,45,49)/t24-,26-,28-,32+,33-,35-,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485492 (Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepacivirus C)	BDBM50485491 (CHEMBL2063088) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])CCCCCc1nc3ccc(OC)cc3cc1O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O9S/c1-6-26-22-41(26,38(49)45-56(51,52)29-16-17-29)44-36(47)32-21-28-23-46(32)37(48)35(40(2,3)4)43-39(50)55-33-14-10-12-24(33)11-8-7-9-13-31-34(54-28)20-25-19-27(53-5)15-18-30(25)42-31/h6,15,18-20,24,26,28-29,32-33,35H,1,7-14,16-17,21-23H2,2-5H3,(H,43,50)(H,44,47)(H,45,49)/t24-,26-,28-,32+,33-,35-,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485494 (CHEMBL2063089) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@@]1([H])C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C39H51N5O9S/c1-6-24-20-39(24,36(47)43-54(49,50)27-13-14-27)42-34(45)30-19-26-21-44(30)35(46)33(38(2,3)4)41-37(48)53-31-17-22(31)10-8-7-9-11-29-32(52-26)18-23-16-25(51-5)12-15-28(23)40-29/h6,12,15-16,18,22,24,26-27,30-31,33H,1,7-11,13-14,17,19-21H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,26-,30+,31-,33-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485492 (Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepacivirus C)	BDBM50485494 (CHEMBL2063089) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@@]1([H])C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C39H51N5O9S/c1-6-24-20-39(24,36(47)43-54(49,50)27-13-14-27)42-34(45)30-19-26-21-44(30)35(46)33(38(2,3)4)41-37(48)53-31-17-22(31)10-8-7-9-11-29-32(52-26)18-23-16-25(51-5)12-15-28(23)40-29/h6,12,15-16,18,22,24,26-27,30-31,33H,1,7-11,13-14,17,19-21H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,26-,30+,31-,33-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485491 (CHEMBL2063088) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])CCCCCc1nc3ccc(OC)cc3cc1O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O9S/c1-6-26-22-41(26,38(49)45-56(51,52)29-16-17-29)44-36(47)32-21-28-23-46(32)37(48)35(40(2,3)4)43-39(50)55-33-14-10-12-24(33)11-8-7-9-13-31-34(54-28)20-25-19-27(53-5)15-18-30(25)42-31/h6,15,18-20,24,26,28-29,32-33,35H,1,7-14,16-17,21-23H2,2-5H3,(H,43,50)(H,44,47)(H,45,49)/t24-,26-,28-,32+,33-,35-,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485490 (CHEMBL2063087) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCCc1nc3ccc(OC)cc3cc1O2)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C42H57N5O9S/c1-5-28-23-42(28,39(50)46-57(52,53)31-16-17-31)45-37(48)34-22-30-24-47(34)38(49)36(26-12-8-6-9-13-26)44-40(51)55-25-41(2,3)19-11-7-10-14-33-35(56-30)21-27-20-29(54-4)15-18-32(27)43-33/h5,15,18,20-21,26,28,30-31,34,36H,1,6-14,16-17,19,22-25H2,2-4H3,(H,44,51)(H,45,48)(H,46,50)/t28-,30-,34+,36+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485492 (Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepacivirus C)	BDBM50485495 (CHEMBL2063085) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCC\C=C\c1nc3ccccc3cc1O2)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C41H53N5O8S/c1-4-28-23-41(28,38(49)45-55(51,52)30-18-19-30)44-36(47)33-22-29-24-46(33)37(48)35(26-13-7-5-8-14-26)43-39(50)53-25-40(2,3)20-12-6-9-17-32-34(54-29)21-27-15-10-11-16-31(27)42-32/h4,9-11,15-17,21,26,28-30,33,35H,1,5-8,12-14,18-20,22-25H2,2-3H3,(H,43,50)(H,44,47)(H,45,49)/b17-9+/t28-,29-,33+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326055 ((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...) Show SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C38H53N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h7,10,12-13,25-27,29-30H,1,8-9,11,14-22H2,2-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485489 (CHEMBL1672609 | MK-1220) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCc1cc3c(O2)nccc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C40H53N5O9S/c1-5-27-21-40(27,37(48)44-55(50,51)29-13-14-29)43-34(46)31-20-28-22-45(31)36(47)33(24-10-7-6-8-11-24)42-38(49)53-23-39(2,3)16-9-12-26-18-30-25(19-32(26)52-4)15-17-41-35(30)54-28/h5,15,17-19,24,27-29,31,33H,1,6-14,16,20-23H2,2-4H3,(H,42,49)(H,43,46)(H,44,48)/t27-,28-,31+,33+,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485493 (CHEMBL2063086) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCCc1nc3ccccc3cc1O2)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O8S/c1-4-28-23-41(28,38(49)45-55(51,52)30-18-19-30)44-36(47)33-22-29-24-46(33)37(48)35(26-13-7-5-8-14-26)43-39(50)53-25-40(2,3)20-12-6-9-17-32-34(54-29)21-27-15-10-11-16-31(27)42-32/h4,10-11,15-16,21,26,28-30,33,35H,1,5-9,12-14,17-20,22-25H2,2-3H3,(H,43,50)(H,44,47)(H,45,49)/t28-,29-,33+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485490 (CHEMBL2063087) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCCc1nc3ccc(OC)cc3cc1O2)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C42H57N5O9S/c1-5-28-23-42(28,39(50)46-57(52,53)31-16-17-31)45-37(48)34-22-30-24-47(34)38(49)36(26-12-8-6-9-13-26)44-40(51)55-25-41(2,3)19-11-7-10-14-33-35(56-30)21-27-20-29(54-4)15-18-32(27)43-33/h5,15,18,20-21,26,28,30-31,34,36H,1,6-14,16-17,19,22-25H2,2-4H3,(H,44,51)(H,45,48)(H,46,50)/t28-,30-,34+,36+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326055 ((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...) Show SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C38H53N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h7,10,12-13,25-27,29-30H,1,8-9,11,14-22H2,2-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485495 (CHEMBL2063085) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCC\C=C\c1nc3ccccc3cc1O2)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C41H53N5O8S/c1-4-28-23-41(28,38(49)45-55(51,52)30-18-19-30)44-36(47)33-22-29-24-46(33)37(48)35(26-13-7-5-8-14-26)43-39(50)53-25-40(2,3)20-12-6-9-17-32-34(54-29)21-27-15-10-11-16-31(27)42-32/h4,9-11,15-17,21,26,28-30,33,35H,1,5-8,12-14,18-20,22-25H2,2-3H3,(H,43,50)(H,44,47)(H,45,49)/b17-9+/t28-,29-,33+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485493 (CHEMBL2063086) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCCc1nc3ccccc3cc1O2)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C41H55N5O8S/c1-4-28-23-41(28,38(49)45-55(51,52)30-18-19-30)44-36(47)33-22-29-24-46(33)37(48)35(26-13-7-5-8-14-26)43-39(50)53-25-40(2,3)20-12-6-9-17-32-34(54-29)21-27-15-10-11-16-31(27)42-32/h4,10-11,15-16,21,26,28-30,33,35H,1,5-9,12-14,17-20,22-25H2,2-3H3,(H,43,50)(H,44,47)(H,45,49)/t28-,29-,33+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326055 ((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...) Show SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C38H53N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h7,10,12-13,25-27,29-30H,1,8-9,11,14-22H2,2-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485489 (CHEMBL1672609 | MK-1220) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCc1cc3c(O2)nccc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C40H53N5O9S/c1-5-27-21-40(27,37(48)44-55(50,51)29-13-14-29)43-34(46)31-20-28-22-45(31)36(47)33(24-10-7-6-8-11-24)42-38(49)53-23-39(2,3)16-9-12-26-18-30-25(19-32(26)52-4)15-17-41-35(30)54-28/h5,15,17-19,24,27-29,31,33H,1,6-14,16,20-23H2,2-4H3,(H,42,49)(H,43,46)(H,44,48)/t27-,28-,31+,33+,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50485489 (CHEMBL1672609 | MK-1220) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCC(C)(C)CCCc1cc3c(O2)nccc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C40H53N5O9S/c1-5-27-21-40(27,37(48)44-55(50,51)29-13-14-29)43-34(46)31-20-28-22-45(31)36(47)33(24-10-7-6-8-11-24)42-38(49)53-23-39(2,3)16-9-12-26-18-30-25(19-32(26)52-4)15-17-41-35(30)54-28/h5,15,17-19,24,27-29,31,33H,1,6-14,16,20-23H2,2-4H3,(H,42,49)(H,43,46)(H,44,48)/t27-,28-,31+,33+,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...				ACS Med Chem Lett 3: 332-6 (2012) Article DOI: 10.1021/ml300017p BindingDB Entry DOI: 10.7270/Q2KH0R6V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278725 (CHEMBL4172769) Show SMILES OCc1ccccc1COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H14Cl3N3O4S/c19-13-6-3-7-14(16(13)21)29(26,27)24-17-18(23-15(20)8-22-17)28-10-12-5-2-1-4-11(12)9-25/h1-8,25H,9-10H2,(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278758 (CHEMBL4167445) Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cccnc2)n1 Show InChI InChI=1S/C16H11Cl3N4O3S/c17-11-4-1-5-12(14(11)19)27(24,25)23-15-16(22-13(18)8-21-15)26-9-10-3-2-6-20-7-10/h1-8H,9H2,(H,21,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Mus musculus)	BDBM50278798 (CHEMBL4172635) Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278799 (CHEMBL4162364) Show SMILES COc1nc(F)c(F)nc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H7Cl2F2N3O3S/c1-21-11-10(16-8(14)9(15)17-11)18-22(19,20)6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H,16,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278798 (CHEMBL4172635) Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278793 (CHEMBL4160218) Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCC#C)n1 Show InChI InChI=1S/C13H8Cl3N3O3S/c1-2-6-22-13-12(17-7-10(15)18-13)19-23(20,21)9-5-3-4-8(14)11(9)16/h1,3-5,7H,6H2,(H,17,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Canis lupus familiaris)	BDBM50278798 (CHEMBL4172635) Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278727 (CHEMBL4173046) Show SMILES COc1ncc(F)nc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(16-8(14)5-15-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278798 (CHEMBL4172635) Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278794 (CHEMBL4175323) Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cccc(Br)c2)n1 Show InChI InChI=1S/C17H11BrCl3N3O3S/c18-11-4-1-3-10(7-11)9-27-17-16(22-8-14(20)23-17)24-28(25,26)13-6-2-5-12(19)15(13)21/h1-8H,9H2,(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278797 (CHEMBL4160846) Show SMILES COc1nc(CO)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C12H10Cl3N3O4S/c1-22-12-11(17-10(15)7(5-19)16-12)18-23(20,21)8-4-2-3-6(13)9(8)14/h2-4,19H,5H2,1H3,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Mus musculus)	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at mouse CCR4				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278787 (CHEMBL4173861) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1scc(Cl)c1Cl Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-8-7(13-2-5(11)14-8)15-20(16,17)9-6(12)4(10)3-19-9/h2-3H,1H3,(H,13,15)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278801 (CHEMBL4165356) Show SMILES COc1ncc(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8Cl3N3O3S/c1-20-11-10(16-8(13)5-15-11)17-21(18,19)7-4-2-3-6(12)9(7)14/h2-5H,1H3,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278785 (CHEMBL4170431) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-8(12)16-11)17-21(18,19)7-4-2-3-6(13)9(7)14/h2-5H,1H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Mus musculus)	BDBM50278724 (CHEMBL4169247) Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278800 (CHEMBL4175972) Show SMILES CCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1 Show InChI InChI=1S/C13H13Cl2N3O4S/c1-3-22-10-7-16-12(13(17-10)21-2)18-23(19,20)9-6-4-5-8(14)11(9)15/h4-7H,3H2,1-2H3,(H,16,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278723 (CHEMBL4162097) Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cncnc2)n1 Show InChI InChI=1S/C15H10Cl3N5O3S/c16-10-2-1-3-11(13(10)18)27(24,25)23-14-15(22-12(17)6-21-14)26-7-9-4-19-8-20-5-9/h1-6,8H,7H2,(H,21,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278786 (CHEMBL4165939) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H8Cl3N3O3S/c1-20-11-10(15-5-8(13)16-11)17-21(18,19)7-4-2-3-6(12)9(7)14/h2-5H,1H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278724 (CHEMBL4169247) Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278749 (CHEMBL4170833) Show SMILES CC(C)COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C14H14Cl3N3O3S/c1-8(2)7-23-14-13(18-6-11(16)19-14)20-24(21,22)10-5-3-4-9(15)12(10)17/h3-6,8H,7H2,1-2H3,(H,18,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278738 (CHEMBL4162555) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(F)c1Cl Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(12)16-11)17-21(18,19)7-4-2-3-6(14)9(7)13/h2-5H,1H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278802 (CHEMBL4164738) Show SMILES COc1nccnc1NS(=O)(=O)c1scc(Cl)c1Cl Show InChI InChI=1S/C9H7Cl2N3O3S2/c1-17-8-7(12-2-3-13-8)14-19(15,16)9-6(11)5(10)4-18-9/h2-4H,1H3,(H,12,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278761 (CHEMBL4168237) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1C Show InChI InChI=1S/C12H11Cl2N3O3S/c1-7-8(13)4-3-5-9(7)21(18,19)17-11-12(20-2)16-10(14)6-15-11/h3-6H,1-2H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278759 (CHEMBL4168775) Show SMILES COc1nc(CO)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C12H11Cl2N3O4S/c1-21-12-11(15-5-7(6-18)16-12)17-22(19,20)9-4-2-3-8(13)10(9)14/h2-5,18H,6H2,1H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Canis lupus familiaris)	BDBM50278724 (CHEMBL4169247) Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278724 (CHEMBL4169247) Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 expressed in CHO cells coexpressing CD4+ assessed as inhibition of CCL22 induced Ca2+ mobilization				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278750 (CHEMBL4160139) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1sc(Cl)cc1Br Show InChI InChI=1S/C9H6Br2ClN3O3S2/c1-18-8-7(13-3-5(11)14-8)15-20(16,17)9-4(10)2-6(12)19-9/h2-3H,1H3,(H,13,15)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50278726 (CHEMBL4172568) Show SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C12H11Cl2N3O3S/c1-7-6-15-11(12(16-7)20-2)17-21(18,19)9-5-3-4-8(13)10(9)14/h3-6H,1-2H3,(H,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 83 total )  |  Next  |  Last  >>

Jump to: