Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'harker' and Initial = 'aj'   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor				J Med Chem 43: 19-21 (2000) BindingDB Entry DOI: 10.7270/Q2DR2TPK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50083757 (CHEMBL302366 | Isomer of 4b,12-Difluoro-5-hydroxy-...) Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC1CCOC1=O |c:15,t:11| Show InChI InChI=1S/C28H34F2O7S/c1-24(2)36-22-11-15-16-10-18(29)17-9-14(31)5-7-25(17,3)27(16,30)20(32)12-26(15,4)28(22,37-24)21(33)13-38-19-6-8-35-23(19)34/h5,7,9,15-16,18-20,22,32H,6,8,10-13H2,1-4H3/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor				J Med Chem 43: 19-21 (2000) BindingDB Entry DOI: 10.7270/Q2DR2TPK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50083757 (CHEMBL302366 | Isomer of 4b,12-Difluoro-5-hydroxy-...) Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC1CCOC1=O |c:15,t:11| Show InChI InChI=1S/C28H34F2O7S/c1-24(2)36-22-11-15-16-10-18(29)17-9-14(31)5-7-25(17,3)27(16,30)20(32)12-26(15,4)28(22,37-24)21(33)13-38-19-6-8-35-23(19)34/h5,7,9,15-16,18-20,22,32H,6,8,10-13H2,1-4H3/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor				J Med Chem 43: 19-21 (2000) BindingDB Entry DOI: 10.7270/Q2DR2TPK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423246 (CHEMBL245568 | SB-649701) Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423246 (CHEMBL245568 | SB-649701) Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423251 (CHEMBL240461) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1 Show InChI InChI=1S/C26H27N5O3/c1-33-24-7-6-22-25(29-24)20(8-11-27-22)23-16-31(26(32)34-23)19-9-12-30(13-10-19)15-18-14-17-4-2-3-5-21(17)28-18/h2-8,11,14,19,23,28H,9-10,12-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423244 (CHEMBL397395) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H31N3O3/c1-18-4-5-20(14-19(18)2)16-29-12-9-21(10-13-29)30-17-26(33-27(30)31)23-8-11-28-25-7-6-22(32-3)15-24(23)25/h4-8,11,14-15,21,26H,9-10,12-13,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423250 (CHEMBL395424) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Br)cc5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C25H26BrN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423246 (CHEMBL245568 | SB-649701) Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in Th2 cells assessed as I309 mediated migration by chemotaxis assay				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423259 (CHEMBL395211) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C25H25Cl2N3O3/c1-32-18-3-5-23-20(13-18)19(6-9-28-23)24-15-30(25(31)33-24)17-7-10-29(11-8-17)14-16-2-4-21(26)22(27)12-16/h2-6,9,12-13,17,24H,7-8,10-11,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50083758 (CHEMBL63241 | Sodium Salt of 2-[2-(4b,12-Difluoro-...) Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC(CCO)C([O-])=O |c:15,t:11| Show InChI InChI=1S/C28H36F2O8S/c1-24(2)37-22-11-15-16-10-18(29)17-9-14(32)5-7-25(17,3)27(16,30)20(33)12-26(15,4)28(22,38-24)21(34)13-39-19(6-8-31)23(35)36/h5,7,9,15-16,18-20,22,31,33H,6,8,10-13H2,1-4H3,(H,35,36)/p-1/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor				J Med Chem 43: 19-21 (2000) BindingDB Entry DOI: 10.7270/Q2DR2TPK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423248 (CHEMBL247965) Show SMILES COc1ccc2nccc(C3CN(C4CCN(CCCc5ccccc5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H31N3O3/c1-32-22-9-10-25-24(18-22)23(11-14-28-25)26-19-30(27(31)33-26)21-12-16-29(17-13-21)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-11,14,18,21,26H,5,8,12-13,15-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423246 (CHEMBL245568 | SB-649701) Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in HUT78 cells assessed as I309-mediated migration by chemotaxis assay				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423256 (CHEMBL443315) Show SMILES CCCCCCN1CCC(CC1)N1CC(OC1=O)c1ccnc2ccc(OC)cc12 Show InChI InChI=1S/C24H33N3O3/c1-3-4-5-6-13-26-14-10-18(11-15-26)27-17-23(30-24(27)28)20-9-12-25-22-8-7-19(29-2)16-21(20)22/h7-9,12,16,18,23H,3-6,10-11,13-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323798 (CHEMBL1214336 | N-[5-(3-pyridinyl)-2,3-dihydro-1H-...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1 Show InChI InChI=1S/C17H20N2O2S/c1-12(2)22(20,21)19-17-9-14-6-5-13(8-16(14)10-17)15-4-3-7-18-11-15/h3-8,11-12,17,19H,9-10H2,1-2H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423258 (CHEMBL396124) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C25H26ClN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423254 (CHEMBL247564) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6s5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H27N3O3S/c1-32-20-6-7-24-23(15-20)22(8-11-28-24)25-17-30(27(31)33-25)19-9-12-29(13-10-19)16-21-14-18-4-2-3-5-26(18)34-21/h2-8,11,14-15,19,25H,9-10,12-13,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50083758 (CHEMBL63241 | Sodium Salt of 2-[2-(4b,12-Difluoro-...) Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC(CCO)C([O-])=O |c:15,t:11| Show InChI InChI=1S/C28H36F2O8S/c1-24(2)37-22-11-15-16-10-18(29)17-9-14(32)5-7-25(17,3)27(16,30)20(33)12-26(15,4)28(22,38-24)21(34)13-39-19(6-8-31)23(35)36/h5,7,9,15-16,18-20,22,31,33H,6,8,10-13H2,1-4H3,(H,35,36)/p-1/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor				J Med Chem 43: 19-21 (2000) BindingDB Entry DOI: 10.7270/Q2DR2TPK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423262 (CHEMBL240462) Show SMILES O=C1OC(CN1C1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccnc2ccccc12 Show InChI InChI=1S/C26H26N4O2/c31-26-30(17-25(32-26)22-9-12-27-24-8-4-2-6-21(22)24)20-10-13-29(14-11-20)16-19-15-18-5-1-3-7-23(18)28-19/h1-9,12,15,20,25,28H,10-11,13-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423252 (CHEMBL248171) Show SMILES COc1ccc(CN2CCC(CC2)N2CC(OC2=O)c2ccnc3ccc(OC)cc23)cc1 Show InChI InChI=1S/C26H29N3O4/c1-31-20-5-3-18(4-6-20)16-28-13-10-19(11-14-28)29-17-25(33-26(29)30)22-9-12-27-24-8-7-21(32-2)15-23(22)24/h3-9,12,15,19,25H,10-11,13-14,16-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423263 (CHEMBL247762) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc6ccccc6c5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C29H29N3O3/c1-34-24-8-9-27-26(17-24)25(10-13-30-27)28-19-32(29(33)35-28)23-11-14-31(15-12-23)18-20-6-7-21-4-2-3-5-22(21)16-20/h2-10,13,16-17,23,28H,11-12,14-15,18-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423260 (CHEMBL247563) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6o5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H27N3O4/c1-32-20-6-7-24-23(15-20)22(8-11-28-24)26-17-30(27(31)34-26)19-9-12-29(13-10-19)16-21-14-18-4-2-3-5-25(18)33-21/h2-8,11,14-15,19,26H,9-10,12-13,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423246 (CHEMBL245568 | SB-649701) Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of hERG				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423257 (CHEMBL393411) Show SMILES COc1ccc2nccc(C3CN(CCCNCc4cc5ccccc5[nH]4)C(=O)O3)c2c1 Show InChI InChI=1S/C25H26N4O3/c1-31-19-7-8-23-21(14-19)20(9-11-27-23)24-16-29(25(30)32-24)12-4-10-26-15-18-13-17-5-2-3-6-22(17)28-18/h2-3,5-9,11,13-14,24,26,28H,4,10,12,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423255 (CHEMBL247761) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc6ccccc6n5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C28H28N4O3/c1-34-22-8-9-26-24(16-22)23(10-13-29-26)27-18-32(28(33)35-27)21-11-14-31(15-12-21)17-20-7-6-19-4-2-3-5-25(19)30-20/h2-10,13,16,21,27H,11-12,14-15,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423249 (CHEMBL396102) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6n5C)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C28H30N4O3/c1-30-21(15-19-5-3-4-6-26(19)30)17-31-13-10-20(11-14-31)32-18-27(35-28(32)33)23-9-12-29-25-8-7-22(34-2)16-24(23)25/h3-9,12,15-16,20,27H,10-11,13-14,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423261 (CHEMBL248169) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5cccc(Cl)c5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C25H26ClN3O3/c1-31-20-5-6-23-22(14-20)21(7-10-27-23)24-16-29(25(30)32-24)19-8-11-28(12-9-19)15-17-3-2-4-18(26)13-17/h2-7,10,13-14,19,24H,8-9,11-12,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423265 (CHEMBL430012) Show SMILES COc1ccc2nccc(C3CN(C4CCN(CC4)C(=O)c4ccc(Cl)c(Cl)c4)C(=O)O3)c2c1 |w:10.9| Show InChI InChI=1S/C25H23Cl2N3O4/c1-33-17-3-5-22-19(13-17)18(6-9-28-22)23-14-30(25(32)34-23)16-7-10-29(11-8-16)24(31)15-2-4-20(26)21(27)12-15/h2-6,9,12-13,16,23H,7-8,10-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423244 (CHEMBL397395) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H31N3O3/c1-18-4-5-20(14-19(18)2)16-29-12-9-21(10-13-29)30-17-26(33-27(30)31)23-8-11-28-25-7-6-22(32-3)15-24(23)25/h4-8,11,14-15,21,26H,9-10,12-13,16-17H2,1-3H3	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of hERG				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423245 (CHEMBL240249) Show SMILES COc1ccc2nccc(C3CN(CCCN(C)Cc4cc5ccccc5[nH]4)C(=O)O3)c2c1 Show InChI InChI=1S/C26H28N4O3/c1-29(16-19-14-18-6-3-4-7-23(18)28-19)12-5-13-30-17-25(33-26(30)31)21-10-11-27-24-9-8-20(32-2)15-22(21)24/h3-4,6-11,14-15,25,28H,5,12-13,16-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423264 (CHEMBL247963) Show SMILES COc1ccc2nccc(C3CN(C4CCN(CC5CCCCC5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C25H33N3O3/c1-30-20-7-8-23-22(15-20)21(9-12-26-23)24-17-28(25(29)31-24)19-10-13-27(14-11-19)16-18-5-3-2-4-6-18/h7-9,12,15,18-19,24H,2-6,10-11,13-14,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323794 (CHEMBL1214396 | N-[5-(4-methyl-3-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cnccc1C Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-17-9-14-4-5-15(8-16(14)10-17)18-11-19-7-6-13(18)3/h4-8,11-12,17,20H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50323797 (CHEMBL1214337 | N-[5-(2-fluoro-3-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1F Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-15-9-12-5-6-13(8-14(12)10-15)16-4-3-7-19-17(16)18/h3-8,11,15,20H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323794 (CHEMBL1214396 | N-[5-(4-methyl-3-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cnccc1C Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-17-9-14-4-5-15(8-16(14)10-17)18-11-19-7-6-13(18)3/h4-8,11-12,17,20H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323795 (CHEMBL1214395 | N-[5-(5-cyano-3-pyridinyl)-2,3-dih...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cncc(c1)C#N Show InChI InChI=1S/C18H19N3O2S/c1-12(2)24(22,23)21-18-7-15-4-3-14(6-16(15)8-18)17-5-13(9-19)10-20-11-17/h3-6,10-12,18,21H,7-8H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323796 (CHEMBL1214394 | N-[5-(2,6-dimethyl-3-pyridinyl)-2,...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(C)nc1C Show InChI InChI=1S/C19H24N2O2S/c1-12(2)24(22,23)21-18-10-15-6-7-16(9-17(15)11-18)19-8-5-13(3)20-14(19)4/h5-9,12,18,21H,10-11H2,1-4H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323793 (CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...) Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1 |r| Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323797 (CHEMBL1214337 | N-[5-(2-fluoro-3-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1F Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-15-9-12-5-6-13(8-14(12)10-15)16-4-3-7-19-17(16)18/h3-8,11,15,20H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323790 (CHEMBL1214452 | N-[(2S)-5-(5-Fluoro-2-pyridinyl)-2...) Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)cn1 |r| Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-12-3-4-13(7-14(12)9-16)17-6-5-15(18)10-19-17/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323788 (CHEMBL1214451 | N-[5-(5-chloro-2-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C17H19ClN2O2S/c1-11(2)23(21,22)20-16-8-12-3-4-13(7-14(12)9-16)17-6-5-15(18)10-19-17/h3-7,10-11,16,20H,8-9H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323789 (CHEMBL1214450 | N-[5-(3-methyl-2-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ncccc1C Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-17-10-14-6-7-15(9-16(14)11-17)18-13(3)5-4-8-19-18/h4-9,12,17,20H,10-11H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323791 (CHEMBL1214449 | N-[5-(5-methyl-2-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(C)cn1 Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-17-9-14-5-6-15(8-16(14)10-17)18-7-4-13(3)11-19-18/h4-8,11-12,17,20H,9-10H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323790 (CHEMBL1214452 | N-[(2S)-5-(5-Fluoro-2-pyridinyl)-2...) Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)cn1 |r| Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-12-3-4-13(7-14(12)9-16)17-6-5-15(18)10-19-17/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323792 (CHEMBL1214447 | N-[(2S)-5-(6-Methyl-3-pyridinyl)-2...) Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(C)nc1 |r| Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-9-15-7-6-14(8-17(15)10-18)16-5-4-13(3)19-11-16/h4-8,11-12,18,20H,9-10H2,1-3H3/t18-/m0/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323793 (CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...) Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1 |r| Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323792 (CHEMBL1214447 | N-[(2S)-5-(6-Methyl-3-pyridinyl)-2...) Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(C)nc1 |r| Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-9-15-7-6-14(8-17(15)10-18)16-5-4-13(3)19-11-16/h4-8,11-12,18,20H,9-10H2,1-3H3/t18-/m0/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323794 (CHEMBL1214396 | N-[5-(4-methyl-3-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cnccc1C Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-17-9-14-4-5-15(8-16(14)10-17)18-11-19-7-6-13(18)3/h4-8,11-12,17,20H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323795 (CHEMBL1214395 | N-[5-(5-cyano-3-pyridinyl)-2,3-dih...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cncc(c1)C#N Show InChI InChI=1S/C18H19N3O2S/c1-12(2)24(22,23)21-18-7-15-4-3-14(6-16(15)8-18)17-5-13(9-19)10-20-11-17/h3-6,10-12,18,21H,7-8H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323788 (CHEMBL1214451 | N-[5-(5-chloro-2-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C17H19ClN2O2S/c1-11(2)23(21,22)20-16-8-12-3-4-13(7-14(12)9-16)17-6-5-15(18)10-19-17/h3-7,10-11,16,20H,8-9H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323789 (CHEMBL1214450 | N-[5-(3-methyl-2-pyridinyl)-2,3-di...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ncccc1C Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-17-10-14-6-7-15(9-16(14)11-17)18-13(3)5-4-8-19-18/h4-9,12,17,20H,10-11H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair

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