Compile Data Set for Download or QSAR

Found 2149 hits with Last Name = 'xian' and Initial = 'j'   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM85335 (SB 234551 | SB-234551) Show SMILES CCCCn1ncc(\C=C(/Cc2cc3OCOc3cc2OC)C(O)=O)c1-c1ccc(OC)cc1OCc1ccccc1C(O)=O |(5.96,3.45,;6.87,2.2,;8.4,2.36,;9.31,1.12,;10.84,1.28,;11.61,2.61,;13.11,2.29,;13.27,.76,;14.61,-.01,;15.94,.76,;15.94,2.3,;17.28,3.07,;18.61,2.3,;19.94,3.07,;21.41,2.6,;22.31,3.84,;21.41,5.09,;19.94,4.61,;18.61,5.38,;17.28,4.61,;15.94,5.38,;15.94,6.92,;17.28,-.01,;17.28,-1.55,;18.61,.76,;11.87,.13,;11.55,-1.37,;12.69,-2.4,;12.37,-3.91,;10.91,-4.38,;10.59,-5.89,;11.73,-6.92,;9.76,-3.35,;10.08,-1.85,;8.94,-.82,;7.47,-1.29,;6.33,-.26,;6.65,1.24,;5.51,2.27,;4.04,1.8,;3.72,.29,;4.86,-.74,;4.54,-2.24,;3.08,-2.72,;5.69,-3.28,)| Show InChI InChI=1S/C34H34N2O9/c1-4-5-12-36-32(27-11-10-25(41-2)16-29(27)43-19-21-8-6-7-9-26(21)34(39)40)24(18-35-36)14-23(33(37)38)13-22-15-30-31(45-20-44-30)17-28(22)42-3/h6-11,14-18H,4-5,12-13,19-20H2,1-3H3,(H,37,38)(H,39,40)/b23-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061077 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-[2-(2-hydroxy...) Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCCO)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445876 (CHEMBL3105692) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins				Bioorg Med Chem 22: 692-702 (2014) Article DOI: 10.1016/j.bmc.2013.12.021 BindingDB Entry DOI: 10.7270/Q2Z039M7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445875 (CHEMBL3105671) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2cccc(F)c2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21ClFNO4S2/c1-2-36(33,34)22-11-9-17(10-12-22)13-24(31)30-25-16-23(18-5-3-7-20(28)14-18)27(35-25)26(32)19-6-4-8-21(29)15-19/h3-12,14-16H,2,13H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins				Bioorg Med Chem 22: 692-702 (2014) Article DOI: 10.1016/j.bmc.2013.12.021 BindingDB Entry DOI: 10.7270/Q2Z039M7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445877 (CHEMBL3105681) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins				Bioorg Med Chem 22: 692-702 (2014) Article DOI: 10.1016/j.bmc.2013.12.021 BindingDB Entry DOI: 10.7270/Q2Z039M7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor type B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor type B (Homo sapiens (Human))	BDBM50061077 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-[2-(2-hydroxy...) Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCCO)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445878 (CHEMBL3105815) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(cs2)-c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C19H16Cl2N2O3S2/c1-2-28(25,26)14-6-3-12(4-7-14)9-18(24)23-19-22-17(11-27-19)15-10-13(20)5-8-16(15)21/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins				Bioorg Med Chem 22: 692-702 (2014) Article DOI: 10.1016/j.bmc.2013.12.021 BindingDB Entry DOI: 10.7270/Q2Z039M7
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM85335 (SB 234551 | SB-234551) Show SMILES CCCCn1ncc(\C=C(/Cc2cc3OCOc3cc2OC)C(O)=O)c1-c1ccc(OC)cc1OCc1ccccc1C(O)=O |(5.96,3.45,;6.87,2.2,;8.4,2.36,;9.31,1.12,;10.84,1.28,;11.61,2.61,;13.11,2.29,;13.27,.76,;14.61,-.01,;15.94,.76,;15.94,2.3,;17.28,3.07,;18.61,2.3,;19.94,3.07,;21.41,2.6,;22.31,3.84,;21.41,5.09,;19.94,4.61,;18.61,5.38,;17.28,4.61,;15.94,5.38,;15.94,6.92,;17.28,-.01,;17.28,-1.55,;18.61,.76,;11.87,.13,;11.55,-1.37,;12.69,-2.4,;12.37,-3.91,;10.91,-4.38,;10.59,-5.89,;11.73,-6.92,;9.76,-3.35,;10.08,-1.85,;8.94,-.82,;7.47,-1.29,;6.33,-.26,;6.65,1.24,;5.51,2.27,;4.04,1.8,;3.72,.29,;4.86,-.74,;4.54,-2.24,;3.08,-2.72,;5.69,-3.28,)| Show InChI InChI=1S/C34H34N2O9/c1-4-5-12-36-32(27-11-10-25(41-2)16-29(27)43-19-21-8-6-7-9-26(21)34(39)40)24(18-35-36)14-23(33(37)38)13-22-15-30-31(45-20-44-30)17-28(22)42-3/h6-11,14-18H,4-5,12-13,19-20H2,1-3H3,(H,37,38)(H,39,40)/b23-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356214 (CHEMBL1910471) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-12-8-21(9-13-23)20-6-10-22(11-7-20)32-16-19-5-3-4-18(14-19)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356215 (CHEMBL1910473) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-21(10-14-23)20-7-11-22(12-8-20)32-16-19-5-3-18(15-26)4-6-19/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					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))	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
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))	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))	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))	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))	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))	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))	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
Collagenase 3 (Homo sapiens (Human))	BDBM50173235 ((S)-2-{4'-[(5-Bromo-4-methoxy-benzofuran-2-carbony...) Show SMILES COc1c(Br)ccc2oc(cc12)C(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C27H25BrN2O7S/c1-15(2)24(27(32)33)30-38(34,35)19-10-6-17(7-11-19)16-4-8-18(9-5-16)29-26(31)23-14-20-22(37-23)13-12-21(28)25(20)36-3/h4-15,24,30H,1-3H3,(H,29,31)(H,32,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394655 (US10308615, Example 12 | preparation of {2-[(pyrid...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50385850 (CHEMBL2042853) Show SMILES Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccccc21)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C31H29N3O/c1-23-8-7-19-32-28(23)22-33-20-17-31(18-21-33)27-11-5-6-12-29(27)34(30(31)35)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-16,19H,17-18,20-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PHD2 (unknown origin) by HTRF assay				Bioorg Med Chem 21: 6349-58 (2013) Article DOI: 10.1016/j.bmc.2013.08.046 BindingDB Entry DOI: 10.7270/Q2K075Q1
					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))	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))	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))	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))	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))	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))	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))	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))	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))	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
Substance-P receptor (Homo sapiens (Human))	BDBM520674 (US11149006, Compound V) Show SMILES COc1cc(ccc1CN[C@H]1CCCN[C@H]1c1ccccc1)S(F)(F)(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.512	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Experimental procedure for competitive binding (Ki determination): Perform CisBio's Tag-Lite Tachykinin NK-1 binding assay according to manufactu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N8X
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50173236 ((S)-2-{4'-[(5-Bromo-benzofuran-2-carbonyl)-amino]-...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1)C(O)=O Show InChI InChI=1S/C26H23BrN2O6S/c1-15(2)24(26(31)32)29-36(33,34)21-10-5-17(6-11-21)16-3-8-20(9-4-16)28-25(30)23-14-18-13-19(27)7-12-22(18)35-23/h3-15,24,29H,1-2H3,(H,28,30)(H,31,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
					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))	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))	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))	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

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