Compile Data Set for Download or QSAR

Found 657 hits with Last Name = 'dong' and Initial = 'k'   

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
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50005795 (2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-puri...) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1cccs1 Show InChI InChI=1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit purine nucleoside phosphorylase (PNP)				J Med Chem 35: 1605-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5GPH
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368609 (CHEMBL604660) Show SMILES O[C@@H]1[C@@H](CI)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H12IN3O4/c12-1-5-8(16)9(17)10(19-5)4-2-13-7-6(4)14-3-15-11(7)18/h2-3,5,8-10,13,16-17H,1H2,(H,14,15,18)/t5-,8-,9-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit purine nucleoside phosphorylase (PNP)				J Med Chem 35: 1605-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5GPH
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368611 (CHEMBL604864) Show SMILES O[C@@H]1[C@@H](CCl)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H12ClN3O4/c12-1-5-8(16)9(17)10(19-5)4-2-13-7-6(4)14-3-15-11(7)18/h2-3,5,8-10,13,16-17H,1H2,(H,14,15,18)/t5-,8-,9-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit purine nucleoside phosphorylase (PNP)				J Med Chem 35: 1605-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5GPH
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50005916 (2,6-diamino-7-(thien-3-ylmethyl)-3,5-dihydro-4H-py...) Show SMILES Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccsc1 Show InChI InChI=1S/C11H11N5OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3,12H2,(H3,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit purine nucleoside phosphorylase (PNP)				J Med Chem 35: 1605-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5GPH
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50230691 (CHEMBL3143996) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC2C1=NC=NC2=O |r,c:17,t:10,15| Show InChI InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,7-10,12,15-17H,2H2/t5-,7?,8-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit purine nucleoside phosphorylase (PNP)				J Med Chem 35: 1605-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5GPH
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50230690 (CHEMBL3143997) Show SMILES NC1=NC(=O)C2NC=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1 |r,c:20,t:1,7| Show InChI InChI=1S/C11H14N4O5/c12-11-14-5-3(1-13-6(5)10(19)15-11)9-8(18)7(17)4(2-16)20-9/h1,4,6-9,13,16-18H,2H2,(H2,12,15,19)/t4-,6?,7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit purine nucleoside phosphorylase (PNP)				J Med Chem 35: 1605-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5GPH
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50595239 (CHEMBL5190894) Show SMILES Cc1cc(ccc1N(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL									Bioorg Med Chem Lett 15: 3675-8 (2005) Article DOI: 10.1016/j.bmcl.2022.128805 BindingDB Entry DOI: 10.7270/Q2J67MXV
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50558869 (CHEMBL4747186) Show SMILES CCOc1nc(Nc2ccc(cc2OC(F)F)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>0.158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His6-Tev-LRRK2 (1326 to 2527 residues) (unknown origin) using LRRKtide as substrate preincubated for 30 mins followed by su...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.045 BindingDB Entry DOI: 10.7270/Q25142XZ
					More data for this Ligand-Target Pair
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))	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))	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))	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))	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))	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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50595236 (CHEMBL5170467) Show SMILES Cc1cc(ccc1N(CCN1CCOCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL									Bioorg Med Chem Lett 15: 3675-8 (2005) Article DOI: 10.1016/j.bmcl.2022.128805 BindingDB Entry DOI: 10.7270/Q2J67MXV
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50595244 (CHEMBL5199526) Show SMILES Cc1cc(ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc2OCOc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL									Bioorg Med Chem Lett 15: 3675-8 (2005) Article DOI: 10.1016/j.bmcl.2022.128805 BindingDB Entry DOI: 10.7270/Q2J67MXV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182268 (CHEMBL3819480) Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C19H19Cl2FN2O4S/c20-12-9-10-15(24-19(26)23-14-8-4-7-13(22)16(14)21)17(25)18(12)29(27,28)11-5-2-1-3-6-11/h4,7-11,25H,1-3,5-6H2,(H2,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182267 (CHEMBL3818853) Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C18H17Cl2FN2O4S/c19-11-8-9-14(16(24)17(11)28(26,27)10-4-1-2-5-10)23-18(25)22-13-7-3-6-12(21)15(13)20/h3,6-10,24H,1-2,4-5H2,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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))	BDBM50182266 (CHEMBL3818984) Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCC1 Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-10-7-8-13(15(23)16(10)27(25,26)9-3-1-4-9)22-17(24)21-12-6-2-5-11(20)14(12)19/h2,5-9,23H,1,3-4H2,(H2,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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))	BDBM50182274 (CHEMBL3819163) Show SMILES CN1CC2(CC(C2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)C1 Show InChI InChI=1S/C20H20Cl2FN3O4S/c1-26-9-20(10-26)7-11(8-20)31(29,30)18-12(21)5-6-15(17(18)27)25-19(28)24-14-4-2-3-13(23)16(14)22/h2-6,11,27H,7-10H2,1H3,(H2,24,25,28)	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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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))	BDBM50182276 (CHEMBL3818581) Show SMILES CN1CCC2(CCC(CC2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1 Show InChI InChI=1S/C24H28Cl2FN3O4S/c1-30-13-11-24(12-14-30)9-7-15(8-10-24)35(33,34)22-16(25)5-6-19(21(22)31)29-23(32)28-18-4-2-3-17(27)20(18)26/h2-6,15,31H,7-14H2,1H3,(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50595240 (CHEMBL5202839) Show SMILES Cc1cc(ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL									Bioorg Med Chem Lett 15: 3675-8 (2005) Article DOI: 10.1016/j.bmcl.2022.128805 BindingDB Entry DOI: 10.7270/Q2J67MXV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182272 (CHEMBL3818277) Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r| Show InChI InChI=1S/C18H18Cl2FN3O4S/c1-24-8-7-10(9-24)29(27,28)17-11(19)5-6-14(16(17)25)23-18(26)22-13-4-2-3-12(21)15(13)20/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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))	BDBM50182251 (CHEMBL3819512) Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182278 (CHEMBL3819221) Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1C(=O)N1CCCCC1 Show InChI InChI=1S/C19H18Cl2FN3O3/c20-11-7-8-14(17(26)15(11)18(27)25-9-2-1-3-10-25)24-19(28)23-13-6-4-5-12(22)16(13)21/h4-8,26H,1-3,9-10H2,(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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))	BDBM50182269 (CHEMBL3818793) Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCOC1 Show InChI InChI=1S/C17H15Cl3N2O5S/c18-10-2-1-3-12(14(10)20)21-17(24)22-13-5-4-11(19)16(15(13)23)28(25,26)9-6-7-27-8-9/h1-5,9,23H,6-8H2,(H2,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182265 (CHEMBL3819569) Show SMILES CC(C)(C)S(=O)(=O)c1c(O)c(NC(=O)Nc2cccc(F)c2Cl)ccc1Cl Show InChI InChI=1S/C17H17Cl2FN2O4S/c1-17(2,3)27(25,26)15-9(18)7-8-12(14(15)23)22-16(24)21-11-6-4-5-10(20)13(11)19/h4-8,23H,1-3H3,(H2,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182262 (CHEMBL3819295) Show SMILES CCS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O Show InChI InChI=1S/C15H13Cl3N2O4S/c1-2-25(23,24)14-9(17)6-7-11(13(14)21)20-15(22)19-10-5-3-4-8(16)12(10)18/h3-7,21H,2H2,1H3,(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182273 (CHEMBL3818827) Show SMILES CN1CCC[C@@H](CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r| Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-26-10-3-4-12(9-11-26)31(29,30)19-13(21)7-8-16(18(19)27)25-20(28)24-15-6-2-5-14(23)17(15)22/h2,5-8,12,27H,3-4,9-11H2,1H3,(H2,24,25,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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))	BDBM50182255 (CHEMBL3818458) Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C17H17Cl3N4O4S/c18-10-2-1-3-12(14(10)20)22-17(26)23-13-5-4-11(19)16(15(13)25)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182264 (CHEMBL3818216) Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O Show InChI InChI=1S/C16H15Cl3N2O4S/c1-8(2)26(24,25)15-10(18)6-7-12(14(15)22)21-16(23)20-11-5-3-4-9(17)13(11)19/h3-8,22H,1-2H3,(H2,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182257 (CHEMBL3818917) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O Show InChI InChI=1S/C18H19Cl2FN4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-11(19)5-6-14(16(17)26)23-18(27)22-13-4-2-3-12(21)15(13)20/h2-6,26H,7-10H2,1H3,(H2,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182270 (CHEMBL3818820) Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C18H17Cl3N2O5S/c19-11-2-1-3-13(15(11)21)22-18(25)23-14-5-4-12(20)17(16(14)24)29(26,27)10-6-8-28-9-7-10/h1-5,10,24H,6-9H2,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50182256 (CHEMBL3819542) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O Show InChI InChI=1S/C18H19Cl3N4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-12(20)5-6-14(16(17)26)23-18(27)22-13-4-2-3-11(19)15(13)21/h2-6,26H,7-10H2,1H3,(H2,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...				ACS Med Chem Lett 7: 397-402 (2016) Article DOI: 10.1021/acsmedchemlett.5b00489 BindingDB Entry DOI: 10.7270/Q2KW5HZH
					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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)| Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL									Bioorg Med Chem Lett 15: 3675-8 (2005) Article DOI: 10.1016/j.bmcl.2022.128805 BindingDB Entry DOI: 10.7270/Q2J67MXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50595242 (CHEMBL5173452) Show SMILES Cc1cc(ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cn1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL									Bioorg Med Chem Lett 15: 3675-8 (2005) Article DOI: 10.1016/j.bmcl.2022.128805 BindingDB Entry DOI: 10.7270/Q2J67MXV
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50595230 (CHEMBL5201407) Show SMILES Cc1cc(ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cn1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL									Bioorg Med Chem Lett 15: 3675-8 (2005) Article DOI: 10.1016/j.bmcl.2022.128805 BindingDB Entry DOI: 10.7270/Q2J67MXV
					More data for this Ligand-Target Pair

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