Compile Data Set for Download or QSAR

Found 388 hits with Last Name = 'copley' and Initial = 'rc'   

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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255551 (CHEMBL4066904) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(C#N)c(c1O)S(=O)(=O)C(C)(C)CC(F)(F)F |r,t:1| Show InChI InChI=1S/C19H22F3N3O4S/c1-11-5-4-6-13(11)24-17(27)25-14-8-7-12(9-23)16(15(14)26)30(28,29)18(2,3)10-19(20,21)22/h5,7-8,13,26H,4,6,10H2,1-3H3,(H2,24,25,27)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255536 (CHEMBL4098864) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1(F)CCOCC1 |r,t:1| Show InChI InChI=1S/C18H22ClFN2O5S/c1-11-3-2-4-13(11)21-17(24)22-14-6-5-12(19)16(15(14)23)28(25,26)18(20)7-9-27-10-8-18/h3,5-6,13,23H,2,4,7-10H2,1H3,(H2,21,22,24)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255543 (CHEMBL4082136) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(C#N)c(c1O)S(=O)(=O)C(C)(C)C |r,t:1| Show InChI InChI=1S/C18H23N3O4S/c1-11-6-5-7-13(11)20-17(23)21-14-9-8-12(10-19)16(15(14)22)26(24,25)18(2,3)4/h6,8-9,13,22H,5,7H2,1-4H3,(H2,20,21,23)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255490 (CHEMBL4060139) Show SMILES CC(C)(CCO)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC=C2Cl)c1O |r,c:22| Show InChI InChI=1S/C17H22Cl2N2O5S/c1-17(2,8-9-22)27(25,26)15-11(19)6-7-13(14(15)23)21-16(24)20-12-5-3-4-10(12)18/h4,6-7,12,22-23H,3,5,8-9H2,1-2H3,(H2,20,21,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255548 (CHEMBL4072270) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@H]1CC[C@@H](O)C1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-10-3-2-4-14(10)20-18(24)21-15-8-7-13(19)17(16(15)23)27(25,26)12-6-5-11(22)9-12/h3,7-8,11-12,14,22-23H,2,4-6,9H2,1H3,(H2,20,21,24)/t11-,12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255564 (CHEMBL4062361) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(C)C1COC1 |r,t:1| Show InChI InChI=1S/C19H25ClN2O5S/c1-11-5-4-6-14(11)21-18(24)22-15-8-7-13(20)17(16(15)23)28(25,26)19(2,3)12-9-27-10-12/h5,7-8,12,14,23H,4,6,9-10H2,1-3H3,(H2,21,22,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255537 (CHEMBL4077201) Show SMILES CCC1(CCOCC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC=C2C)c1O |r,c:25| Show InChI InChI=1S/C20H27ClN2O5S/c1-3-20(9-11-28-12-10-20)29(26,27)18-14(21)7-8-16(17(18)24)23-19(25)22-15-6-4-5-13(15)2/h5,7-8,15,24H,3-4,6,9-12H2,1-2H3,(H2,22,23,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255503 (CHEMBL4066818) Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCC=C2C)c1O |c:19| Show InChI InChI=1S/C16H21ClN2O4S/c1-9(2)24(22,23)15-11(17)7-8-13(14(15)20)19-16(21)18-12-6-4-5-10(12)3/h5,7-9,12,20H,4,6H2,1-3H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255553 (CHEMBL4070506) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1CCN(CC1)C1CCC1 |r,t:1| Show InChI InChI=1S/C22H30ClN3O4S/c1-14-4-2-7-18(14)24-22(28)25-19-9-8-17(23)21(20(19)27)31(29,30)16-10-12-26(13-11-16)15-5-3-6-15/h4,8-9,15-16,18,27H,2-3,5-7,10-13H2,1H3,(H2,24,25,28)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255482 (CHEMBL4086957) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(F)F |r,t:1| Show InChI InChI=1S/C15H17ClF2N2O4S/c1-8-4-3-5-10(8)19-14(22)20-11-7-6-9(16)13(12(11)21)25(23,24)15(2,17)18/h4,6-7,10,21H,3,5H2,1-2H3,(H2,19,20,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182263 (CHEMBL3817901) Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O Show InChI InChI=1S/C16H15Cl2FN2O4S/c1-8(2)26(24,25)15-9(17)6-7-12(14(15)22)21-16(23)20-11-5-3-4-10(19)13(11)18/h3-8,22H,1-2H3,(H2,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255541 (CHEMBL4088551) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(C)C1CCOCC1 |r,t:1| Show InChI InChI=1S/C21H29ClN2O5S/c1-13-5-4-6-16(13)23-20(26)24-17-8-7-15(22)19(18(17)25)30(27,28)21(2,3)14-9-11-29-12-10-14/h5,7-8,14,16,25H,4,6,9-12H2,1-3H3,(H2,23,24,26)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255478 (CHEMBL4082031) Show SMILES Oc1c(NC(=O)N[C@@H]2CCC=C2Cl)ccc(Cl)c1S(=O)(=O)C1(F)CCOCC1 |r,c:10| Show InChI InChI=1S/C17H19Cl2FN2O5S/c18-10-2-1-3-12(10)21-16(24)22-13-5-4-11(19)15(14(13)23)28(25,26)17(20)6-8-27-9-7-17/h2,4-5,12,23H,1,3,6-9H2,(H2,21,22,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255484 (CHEMBL4103349) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(C)C(F)(F)F |r,t:1| Show InChI InChI=1S/C17H20ClF3N2O4S/c1-9-5-4-6-11(9)22-15(25)23-12-8-7-10(18)14(13(12)24)28(26,27)16(2,3)17(19,20)21/h5,7-8,11,24H,4,6H2,1-3H3,(H2,22,23,25)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255540 (CHEMBL4066510) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1(C)CCOCC1 |r,t:1| Show InChI InChI=1S/C19H25ClN2O5S/c1-12-4-3-5-14(12)21-18(24)22-15-7-6-13(20)17(16(15)23)28(25,26)19(2)8-10-27-11-9-19/h4,6-7,14,23H,3,5,8-11H2,1-2H3,(H2,21,22,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255485 (CHEMBL4079102) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(C)CF |r,t:1| Show InChI InChI=1S/C17H22ClFN2O4S/c1-10-5-4-6-12(10)20-16(23)21-13-8-7-11(18)15(14(13)22)26(24,25)17(2,3)9-19/h5,7-8,12,22H,4,6,9H2,1-3H3,(H2,20,21,23)/t12-/m1/s1	PDB Reactome pathway KEGG 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
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255481 (CHEMBL4098979) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1CCN(CCF)CC1 |r,t:1| Show InChI InChI=1S/C20H27ClFN3O4S/c1-13-3-2-4-16(13)23-20(27)24-17-6-5-15(21)19(18(17)26)30(28,29)14-7-10-25(11-8-14)12-9-22/h3,5-6,14,16,26H,2,4,7-12H2,1H3,(H2,23,24,27)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513974 (CHEMBL4513624) Show SMILES OC(=O)C[C@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255562 (CHEMBL4089421) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1(F)CCOC1 |r,t:1| Show InChI InChI=1S/C17H20ClFN2O5S/c1-10-3-2-4-12(10)20-16(23)21-13-6-5-11(18)15(14(13)22)27(24,25)17(19)7-8-26-9-17/h3,5-6,12,22H,2,4,7-9H2,1H3,(H2,20,21,23)/t12-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255480 (CHEMBL4100674) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@]1(C)CCOC1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255497 (CHEMBL4094324) Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCC=C2Cl)c1O |c:19| Show InChI InChI=1S/C15H18Cl2N2O4S/c1-8(2)24(22,23)14-10(17)6-7-12(13(14)20)19-15(21)18-11-5-3-4-9(11)16/h4,6-8,11,20H,3,5H2,1-2H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255479 (CHEMBL4067429) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255545 (CHEMBL4097602) Show SMILES CN(C)[C@H]1C[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC=C2C)c1O |r,wU:5.7,20.20,wD:3.2,c:24,(59.13,-13.26,;59.14,-14.8,;57.81,-15.58,;60.48,-15.56,;60.88,-17.04,;62.35,-16.64,;61.95,-15.16,;63.68,-17.4,;64.45,-16.06,;65.23,-17.39,;63.7,-18.95,;62.37,-19.72,;61.04,-18.95,;62.36,-21.26,;63.7,-22.04,;65.04,-21.26,;66.38,-22.03,;67.71,-21.26,;67.71,-19.71,;69.05,-22.03,;70.38,-21.25,;71.79,-21.87,;72.81,-20.73,;72.04,-19.39,;70.53,-19.71,;69.38,-18.68,;65.03,-19.71,;66.37,-18.94,)| Show InChI InChI=1S/C19H26ClN3O4S/c1-11-5-4-6-15(11)21-19(25)22-16-8-7-14(20)18(17(16)24)28(26,27)13-9-12(10-13)23(2)3/h5,7-8,12-13,15,24H,4,6,9-10H2,1-3H3,(H2,21,22,25)/t12-,13-,15-/m1/s1	PDB Reactome pathway KEGG 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
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255544 (CHEMBL4076428) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@H]1C[C@@H](C1)N1CCCC1 |r,wU:21.22,5.6,wD:23.27,t:1,(83.51,-19.2,;84.66,-20.23,;86.17,-19.91,;86.94,-21.24,;85.91,-22.39,;84.51,-21.77,;83.18,-22.55,;81.84,-21.77,;81.84,-20.23,;80.5,-22.55,;79.17,-21.78,;77.83,-22.55,;76.49,-21.78,;76.49,-20.23,;75.17,-19.47,;77.83,-19.47,;79.16,-20.23,;80.5,-19.46,;77.81,-17.92,;78.58,-16.58,;79.35,-17.91,;76.48,-17.16,;75.01,-17.56,;74.61,-16.08,;76.08,-15.68,;73.27,-15.32,;73.09,-13.8,;71.59,-13.49,;70.83,-14.83,;71.86,-15.96,)| Show InChI InChI=1S/C21H28ClN3O4S/c1-13-5-4-6-17(13)23-21(27)24-18-8-7-16(22)20(19(18)26)30(28,29)15-11-14(12-15)25-9-2-3-10-25/h5,7-8,14-15,17,26H,2-4,6,9-12H2,1H3,(H2,23,24,27)/t14-,15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255547 (CHEMBL4076053) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1CC2(COC2)C1 |r,t:1| Show InChI InChI=1S/C19H23ClN2O5S/c1-11-3-2-4-14(11)21-18(24)22-15-6-5-13(20)17(16(15)23)28(25,26)12-7-19(8-12)9-27-10-19/h3,5-6,12,14,23H,2,4,7-10H2,1H3,(H2,21,22,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255539 (CHEMBL4095602) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(C)C |r,t:1| Show InChI InChI=1S/C17H23ClN2O4S/c1-10-6-5-7-12(10)19-16(22)20-13-9-8-11(18)15(14(13)21)25(23,24)17(2,3)4/h6,8-9,12,21H,5,7H2,1-4H3,(H2,19,20,22)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255479 (CHEMBL4067429) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50091497 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@@H](O)[C@@H](O)CN1O)C(O)=O Show InChI InChI=1S/C16H23N3O8/c17-9(5-7-1-3-8(20)4-2-7)15(24)18-11(16(25)26)12-14(23)13(22)10(21)6-19(12)27/h1-4,9-14,20-23,27H,5-6,17H2,(H,18,24)(H,25,26)/t9-,10-,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined				Bioorg Med Chem Lett 10: 1811-4 (2000) BindingDB Entry DOI: 10.7270/Q23F4Q5G
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255459 (CHEMBL4084077) Show SMILES COCC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC=C2C)c1O |r,c:21| Show InChI InChI=1S/C17H23ClN2O5S/c1-10-5-4-6-13(10)19-17(22)20-14-8-7-12(18)16(15(14)21)26(23,24)11(2)9-25-3/h5,7-8,11,13,21H,4,6,9H2,1-3H3,(H2,19,20,22)/t11?,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255535 (CHEMBL4079718) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1(CF)CCOCC1 |r,t:1| Show InChI InChI=1S/C19H24ClFN2O5S/c1-12-3-2-4-14(12)22-18(25)23-15-6-5-13(20)17(16(15)24)29(26,27)19(11-21)7-9-28-10-8-19/h3,5-6,14,24H,2,4,7-11H2,1H3,(H2,22,23,25)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255550 (CHEMBL4076478) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(C)[C@@H]1CCOC1 |r,t:1| Show InChI InChI=1S/C20H27ClN2O5S/c1-12-5-4-6-15(12)22-19(25)23-16-8-7-14(21)18(17(16)24)29(26,27)20(2,3)13-9-10-28-11-13/h5,7-8,13,15,24H,4,6,9-11H2,1-3H3,(H2,22,23,25)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513966 (CHEMBL4468875) Show SMILES OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)20(12-21(30)31)29-23-26-13-19(14-27-23)32-11-9-18-8-5-16-2-1-10-25-22(16)28-18/h3-8,13-14,20H,1-2,9-12H2,(H,25,28)(H,30,31)(H,26,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255523 (CHEMBL4062546) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1(C)CCOC1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM18128 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r| Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined				Bioorg Med Chem Lett 10: 1811-4 (2000) BindingDB Entry DOI: 10.7270/Q23F4Q5G
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255542 (CHEMBL4084135) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C(C)(C)[C@H]1CCOC1 |r,t:1| Show InChI InChI=1S/C20H27ClN2O5S/c1-12-5-4-6-15(12)22-19(25)23-16-8-7-14(21)18(17(16)24)29(26,27)20(2,3)13-9-10-28-11-13/h5,7-8,13,15,24H,4,6,9-11H2,1-3H3,(H2,22,23,25)/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255495 (CHEMBL4098536) Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCC(F)=C2C)c1O |c:20| Show InChI InChI=1S/C16H20ClFN2O4S/c1-8(2)25(23,24)15-10(17)4-6-13(14(15)21)20-16(22)19-12-7-5-11(18)9(12)3/h4,6,8,12,21H,5,7H2,1-3H3,(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255534 (CHEMBL4081963) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1CCCOC1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-2-6-14(11)20-18(23)21-15-8-7-13(19)17(16(15)22)27(24,25)12-5-3-9-26-10-12/h4,7-8,12,14,22H,2-3,5-6,9-10H2,1H3,(H2,20,21,23)/t12?,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513980 (CHEMBL4451803) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1cccc(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-19-5-1-3-18(15-19)23(16-24(30)31)28-20-8-10-22(11-9-20)32-14-12-21-7-6-17-4-2-13-27-25(17)29-21/h1,3,5-11,15,23,28H,2,4,12-14,16H2,(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513988 (CHEMBL4445933) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H30N4O4/c35-29(36)19-27(21-9-12-25(13-10-21)38-24-6-2-1-3-7-24)34-28-15-14-26(20-32-28)37-18-16-23-11-8-22-5-4-17-31-30(22)33-23/h1-3,6-15,20,27H,4-5,16-19H2,(H,31,33)(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513976 (CHEMBL4539942) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)19(14-22(30)31)27-20-9-10-21(29-28-20)32-13-11-18-8-5-16-2-1-12-25-23(16)26-18/h3-10,19H,1-2,11-14H2,(H,25,26)(H,27,28)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255563 (CHEMBL4060060) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1(C)CCCOC1 |r,t:1| Show InChI InChI=1S/C19H25ClN2O5S/c1-12-5-3-6-14(12)21-18(24)22-15-8-7-13(20)17(16(15)23)28(25,26)19(2)9-4-10-27-11-19/h5,7-8,14,23H,3-4,6,9-11H2,1-2H3,(H2,21,22,24)/t14-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255462 (CHEMBL4072010) Show SMILES CN(C)CC(F)(F)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC=C2C)c1O |r,c:23| Show InChI InChI=1S/C17H22ClF2N3O4S/c1-10-5-4-6-12(10)21-16(25)22-13-8-7-11(18)15(14(13)24)28(26,27)17(19,20)9-23(2)3/h5,7-8,12,24H,4,6,9H2,1-3H3,(H2,21,22,25)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513970 (CHEMBL4557585) Show SMILES OC(=O)CC(Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513973 (CHEMBL4458205) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Br)c1 Show InChI InChI=1S/C24H25BrN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255565 (CHEMBL4076676) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)C1CCN(CC(F)F)CC1 |r,t:1| Show InChI InChI=1S/C20H26ClF2N3O4S/c1-12-3-2-4-15(12)24-20(28)25-16-6-5-14(21)19(18(16)27)31(29,30)13-7-9-26(10-8-13)11-17(22)23/h3,5-6,13,15,17,27H,2,4,7-11H2,1H3,(H2,24,25,28)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513968 (CHEMBL4461155) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513977 (CHEMBL4588580) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-6-3-16(4-7-18)21(14-23(30)31)29-22-10-9-20(15-27-22)32-13-11-19-8-5-17-2-1-12-26-24(17)28-19/h3-10,15,21H,1-2,11-14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255494 (CHEMBL4071499) Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCC(Cl)=C2C)c1O |c:20| Show InChI InChI=1S/C16H20Cl2N2O4S/c1-8(2)25(23,24)15-11(18)5-7-13(14(15)21)20-16(22)19-12-6-4-10(17)9(12)3/h5,7-8,12,21H,4,6H2,1-3H3,(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513967 (CHEMBL4443365) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C29H35N5O4/c35-28(36)18-26(22-5-3-21(4-6-22)20-34-13-16-37-17-14-34)33-27-10-9-25(19-31-27)38-15-11-24-8-7-23-2-1-12-30-29(23)32-24/h3-10,19,26H,1-2,11-18,20H2,(H,30,32)(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Methionine--tRNA ligase (Staphylococcus aureus (strain MW2))	BDBM50149651 (2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...) Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccsc2c(=O)[nH]1 Show InChI InChI=1S/C19H23BrN4O3S/c1-3-27-16-12(9-13(26-2)10-14(16)20)11-21-6-4-7-22-19-23-15-5-8-28-17(15)18(25)24-19/h5,8-10,21H,3-4,6-7,11H2,1-2H3,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase				Bioorg Med Chem Lett 14: 3937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.05.070 BindingDB Entry DOI: 10.7270/Q2QC02Z9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 388 total )  |  Next  |  Last  >>

Jump to: