Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'gong' and Initial = 's'   

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
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442257 (CHEMBL2028192) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442257 (CHEMBL2028192) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442256 (CHEMBL2442111) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50534504 (CHEMBL4590676) Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C16H16ClNO4/c17-12-6-7-15(22-10-11-4-2-1-3-5-11)13(8-12)14(19)9-16(20)18-21/h1-8,14,19,21H,9-10H2,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-urea-inhibitor complex by non-linear fitt...				Bioorg Med Chem 24: 4519-4527 (2016) Article DOI: 10.1016/j.bmc.2016.07.052 BindingDB Entry DOI: 10.7270/Q24F1V76
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50534504 (CHEMBL4590676) Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C16H16ClNO4/c17-12-6-7-15(22-10-11-4-2-1-3-5-11)13(8-12)14(19)9-16(20)18-21/h1-8,14,19,21H,9-10H2,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-inhibitor complex by non-linear fitting a...				Bioorg Med Chem 24: 4519-4527 (2016) Article DOI: 10.1016/j.bmc.2016.07.052 BindingDB Entry DOI: 10.7270/Q24F1V76
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493364 (CHEMBL2425480) Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1O Show InChI InChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-urea-inhibitor complex by non-linear fitt...				Bioorg Med Chem 24: 4519-4527 (2016) Article DOI: 10.1016/j.bmc.2016.07.052 BindingDB Entry DOI: 10.7270/Q24F1V76
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493364 (CHEMBL2425480) Show SMILES ONC(=O)CC(O)c1cc(Cl)ccc1O Show InChI InChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-inhibitor complex by non-linear fitting a...				Bioorg Med Chem 24: 4519-4527 (2016) Article DOI: 10.1016/j.bmc.2016.07.052 BindingDB Entry DOI: 10.7270/Q24F1V76
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM24961 (Urea) Show SMILES NC(N)=O Show InChI InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	6.47E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Substrate inhibition of Helicobacter pylori urease in presence of >4 mM urea by indophenol method				Bioorg Med Chem 24: 4519-4527 (2016) Article DOI: 10.1016/j.bmc.2016.07.052 BindingDB Entry DOI: 10.7270/Q24F1V76
					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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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))	BDBM50182277 (CHEMBL3818323) Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1C(=O)N1CCCC1 Show InChI InChI=1S/C18H16Cl2FN3O3/c19-10-6-7-13(16(25)14(10)17(26)24-8-1-2-9-24)23-18(27)22-12-5-3-4-11(21)15(12)20/h3-7,25H,1-2,8-9H2,(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	1	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))	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))	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))	BDBM50182258 (CHEMBL3819382) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O Show InChI InChI=1S/C19H21Cl2FN4O4S/c1-2-25-8-10-26(11-9-25)31(29,30)18-12(20)6-7-15(17(18)27)24-19(28)23-14-5-3-4-13(22)16(14)21/h3-7,27H,2,8-11H2,1H3,(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	1	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))	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))	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

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