Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'oakley' and Initial = 'p'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254456 (CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254458 (CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254456 (CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254459 (CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254460 (CHEMBL499999 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 Show InChI InChI=1S/C32H41ClN4O4S/c1-25(2)24-41-29-12-8-27(9-13-29)22-37(23-32(38)34-20-28-6-4-5-7-31(28)33)42(39,40)30-14-10-26(11-15-30)21-36-18-16-35(3)17-19-36/h4-15,25H,16-24H2,1-3H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254461 (CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254462 (CHEMBL468492 | N-(2-methoxyphenethyl)-2-(N-(2-(ben...) Show SMILES COc1ccccc1CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H26Cl2N2O7S/c1-34-22-5-3-2-4-18(22)10-11-29-26(31)16-30(38(32,33)25-9-6-19(27)14-21(25)28)12-13-35-20-7-8-23-24(15-20)37-17-36-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254458 (CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254463 (3-(2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yl...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2O6S/c23-17-5-7-20(19(24)13-17)33(30,31)26(14-21(27)25-9-8-22(28)29)10-11-32-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13H,1-3,8-11,14H2,(H,25,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254461 (CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	463	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254459 (CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...) Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254508 (3-(2-(2,4-dichloro-N-(2-(3-chlorophenoxy)ethyl)phe...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl3N2O6S/c20-13-2-1-3-15(10-13)30-9-8-24(12-18(25)23-7-6-19(26)27)31(28,29)17-5-4-14(21)11-16(17)22/h1-5,10-11H,6-9,12H2,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254632 (2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yloxy...) Show SMILES COCCCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N2O5S/c1-31-12-3-10-26-23(28)16-27(33(29,30)22-9-7-19(24)15-21(22)25)11-13-32-20-8-6-17-4-2-5-18(17)14-20/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254633 (3-(2-(N-(2-(benzo[d][1,3]dioxol-5-yloxy)ethyl)-2,4...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl2N2O8S/c21-13-1-4-18(15(22)9-13)33(28,29)24(11-19(25)23-6-5-20(26)27)7-8-30-14-2-3-16-17(10-14)32-12-31-16/h1-4,9-10H,5-8,11-12H2,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254634 (2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yloxy...) Show SMILES CNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H22Cl2N2O4S/c1-23-20(25)13-24(29(26,27)19-8-6-16(21)12-18(19)22)9-10-28-17-7-5-14-3-2-4-15(14)11-17/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254635 (3-(2-(2,4-dichloro-N-(2-phenoxyethyl)phenylsulfona...) Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H20Cl2N2O6S/c20-14-6-7-17(16(21)12-14)30(27,28)23(13-18(24)22-9-8-19(25)26)10-11-29-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166702 (2-(1-(4-chlorophenylsulfonyl)cyclohexyl)-1,4-diflu...) Show SMILES Fc1ccc(F)c(c1)C1(CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClF2O2S/c19-13-4-7-15(8-5-13)24(22,23)18(10-2-1-3-11-18)16-12-14(20)6-9-17(16)21/h4-9,12H,1-3,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048182 (CHEMBL3310787) Show SMILES OC[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H13F2N3O2S/c17-12-3-1-2-8(13(12)18)7-24-16-20-14(10-4-9(10)6-22)11(5-19)15(23)21-16/h1-3,9-10,22H,4,6-7H2,(H,20,21,23)/t9-,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048183 (CHEMBL3310788) Show SMILES NC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H12F2N4O2S/c17-11-3-1-2-7(12(11)18)6-25-16-21-13(8-4-9(8)14(20)23)10(5-19)15(24)22-16/h1-3,8-9H,4,6H2,(H2,20,23)(H,21,22,24)/t8-,9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048181 (CHEMBL3310786) Show SMILES OC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H11F2N3O3S/c17-11-3-1-2-7(12(11)18)6-25-16-20-13(8-4-9(8)15(23)24)10(5-19)14(22)21-16/h1-3,8-9H,4,6H2,(H,23,24)(H,20,21,22)/t8-,9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166710 (4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-pheny...) Show SMILES OC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |(12.77,-4.47,;11.45,-3.7,;9.93,-3.45,;9.92,-1.63,;9.13,-.66,;10.64,-.91,;10.61,-2.66,;9.12,.88,;7.78,1.64,;7.78,3.18,;6.44,3.97,;9.12,3.95,;10.44,3.18,;10.44,1.64,;11.78,.85,;7.78,-1.45,;8.57,-2.79,;7,-.1,;6.44,-2.23,;6.44,-3.78,;5.1,-4.54,;3.78,-3.78,;2.44,-4.57,;3.78,-2.23,;5.1,-1.47,)| Show InChI InChI=1S/C18H17ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11,14,22H,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166710 (4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-pheny...) Show SMILES OC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |(12.77,-4.47,;11.45,-3.7,;9.93,-3.45,;9.92,-1.63,;9.13,-.66,;10.64,-.91,;10.61,-2.66,;9.12,.88,;7.78,1.64,;7.78,3.18,;6.44,3.97,;9.12,3.95,;10.44,3.18,;10.44,1.64,;11.78,.85,;7.78,-1.45,;8.57,-2.79,;7,-.1,;6.44,-2.23,;6.44,-3.78,;5.1,-4.54,;3.78,-3.78,;2.44,-4.57,;3.78,-2.23,;5.1,-1.47,)| Show InChI InChI=1S/C18H17ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11,14,22H,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166696 (3-(4-Chloro-benzenesulfonyl)-3-(2,5-difluoro-pheny...) Show SMILES Fc1ccc(F)c(c1)C1(CC2CCC(C2)C1)S(=O)(=O)c1ccc(Cl)cc1 |TLB:16:8:14:11.12,6:8:14:11.12| Show InChI InChI=1S/C20H19ClF2O2S/c21-15-3-6-17(7-4-15)26(24,25)20(11-13-1-2-14(9-13)12-20)18-10-16(22)5-8-19(18)23/h3-8,10,13-14H,1-2,9,11-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166696 (3-(4-Chloro-benzenesulfonyl)-3-(2,5-difluoro-pheny...) Show SMILES Fc1ccc(F)c(c1)C1(CC2CCC(C2)C1)S(=O)(=O)c1ccc(Cl)cc1 |TLB:16:8:14:11.12,6:8:14:11.12| Show InChI InChI=1S/C20H19ClF2O2S/c21-15-3-6-17(7-4-15)26(24,25)20(11-13-1-2-14(9-13)12-20)18-10-16(22)5-8-19(18)23/h3-8,10,13-14H,1-2,9,11-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166709 (4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-pheny...) Show SMILES Fc1ccc(F)c(c1)C1(CCC(=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11H,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166703 (4-Chloro-N-(2,5-difluoro-phenyl)-N-((R)-2-hydroxy-...) Show SMILES C[C@H](CO)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClF2NO3S/c1-10(9-20)19(15-8-12(17)4-7-14(15)18)23(21,22)13-5-2-11(16)3-6-13/h2-8,10,20H,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166699 (4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-pheny...) Show SMILES CC(CCO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H17ClF2O3S/c1-11(8-9-21)17(15-10-13(19)4-7-16(15)20)24(22,23)14-5-2-12(18)3-6-14/h2-7,10-11,17,21H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048228 (CHEMBL3310783) Show SMILES Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1C#N Show InChI InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-GRO-alpha from human recombinant CXCR2 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166704 (1-{1-[(4-chlorophenyl)sulfonyl]cyclohexyl}-2-fluor...) Show SMILES Fc1ccccc1C1(CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClFO2S/c19-14-8-10-15(11-9-14)23(21,22)18(12-4-1-5-13-18)16-6-2-3-7-17(16)20/h2-3,6-11H,1,4-5,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166698 (2-(1-(4-chlorophenylsulfonyl)-2-methylpropyl)-1,4-...) Show SMILES CC(C)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClF2O2S/c1-10(2)16(14-9-12(18)5-8-15(14)19)22(20,21)13-6-3-11(17)4-7-13/h3-10,16H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166705 (2-(1-Benzenesulfonyl-cyclohexyl)-1,4-difluoro-benz...) Show SMILES Fc1ccc(F)c(c1)C1(CCCCC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H18F2O2S/c19-14-9-10-17(20)16(13-14)18(11-5-2-6-12-18)23(21,22)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166708 (5-(4-Chloro-benzenesulfonyl)-5-(2,5-difluoro-pheny...) Show SMILES COC(=O)C1CC(CCC1=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClF2O5S/c1-28-19(25)15-11-20(9-8-18(15)24,16-10-13(22)4-7-17(16)23)29(26,27)14-5-2-12(21)3-6-14/h2-7,10,15H,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048228 (CHEMBL3310783) Show SMILES Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1C#N Show InChI InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166707 (4-Chloro-N-(2,5-difluoro-phenyl)-N-isopropyl-benze...) Show SMILES CC(C)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClF2NO2S/c1-10(2)19(15-9-12(17)5-8-14(15)18)22(20,21)13-6-3-11(16)4-7-13/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166706 (1-{1-[(4-chlorophenyl)sulfonyl]cyclohexyl}-3-fluor...) Show SMILES Fc1cccc(c1)C1(CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClFO2S/c19-15-7-9-17(10-8-15)23(21,22)18(11-2-1-3-12-18)14-5-4-6-16(20)13-14/h4-10,13H,1-3,11-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166697 (3-(4-Chloro-benzenesulfonyl)-3-(2,5-difluoro-pheny...) Show SMILES COC(=O)C(C)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClF2O4S/c1-10(17(21)24-2)16(14-9-12(19)5-8-15(14)20)25(22,23)13-6-3-11(18)4-7-13/h3-10,16H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166713 (3-(4-Chloro-benzenesulfonyl)-3-(2,5-difluoro-pheny...) Show SMILES CC(CO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClF2O3S/c1-10(9-20)16(14-8-12(18)4-7-15(14)19)23(21,22)13-5-2-11(17)3-6-13/h2-8,10,16,20H,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048180 (CHEMBL3310785) Show SMILES CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C18H15F2N3O3S/c1-2-26-17(25)11-6-10(11)15-12(7-21)16(24)23-18(22-15)27-8-9-4-3-5-13(19)14(9)20/h3-5,10-11H,2,6,8H2,1H3,(H,22,23,24)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048224 (CHEMBL3310794) Show SMILES Oc1cc(nc(SCc2cccc(F)c2F)n1)C1CC1 Show InChI InChI=1S/C14H12F2N2OS/c15-10-3-1-2-9(13(10)16)7-20-14-17-11(8-4-5-8)6-12(19)18-14/h1-3,6,8H,4-5,7H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50166714 (1-Chloro-4-(1-phenyl-cyclohexanesulfonyl)-benzene ...) Show SMILES Clc1ccc(cc1)S(=O)(=O)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C18H19ClO2S/c19-16-9-11-17(12-10-16)22(20,21)18(13-5-2-6-14-18)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells				Bioorg Med Chem Lett 15: 2685-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.017 BindingDB Entry DOI: 10.7270/Q29G5M9M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048184 (CHEMBL3310789) Show SMILES Oc1nc(SCc2ccccc2)nc(C2CC2)c1C#N Show InChI InChI=1S/C15H13N3OS/c16-8-12-13(11-6-7-11)17-15(18-14(12)19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-7,9H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048244 (CHEMBL3310774) Show SMILES COc1ccc(cc1)-c1nc(SCc2cccc(F)c2F)nc(O)c1C#N Show InChI InChI=1S/C19H13F2N3O2S/c1-26-13-7-5-11(6-8-13)17-14(9-22)18(25)24-19(23-17)27-10-12-3-2-4-15(20)16(12)21/h2-8H,10H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048249 (CHEMBL3310777) Show SMILES Oc1ccc(cc1)-c1nc(SCc2cccc(F)c2F)nc(O)c1C#N Show InChI InChI=1S/C18H11F2N3O2S/c19-14-3-1-2-11(15(14)20)9-26-18-22-16(13(8-21)17(25)23-18)10-4-6-12(24)7-5-10/h1-7,24H,9H2,(H,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	780	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048252 (CHEMBL3310780) Show SMILES CC(C)c1nc(SCc2cccc(F)c2F)nc(O)c1C#N Show InChI InChI=1S/C15H13F2N3OS/c1-8(2)13-10(6-18)14(21)20-15(19-13)22-7-9-4-3-5-11(16)12(9)17/h3-5,8H,7H2,1-2H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048225 (CHEMBL3311396) Show SMILES Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1Br Show InChI InChI=1S/C14H11BrF2N2OS/c15-10-12(7-4-5-7)18-14(19-13(10)20)21-6-8-2-1-3-9(16)11(8)17/h1-3,7H,4-6H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048242 (CHEMBL3310773) Show SMILES Cc1ccc(cc1)-c1nc(SCc2cccc(F)c2F)nc(O)c1C#N Show InChI InChI=1S/C19H13F2N3OS/c1-11-5-7-12(8-6-11)17-14(9-22)18(25)24-19(23-17)26-10-13-3-2-4-15(20)16(13)21/h2-8H,10H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048180 (CHEMBL3310785) Show SMILES CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C18H15F2N3O3S/c1-2-26-17(25)11-6-10(11)15-12(7-21)16(24)23-18(22-15)27-8-9-4-3-5-13(19)14(9)20/h3-5,10-11H,2,6,8H2,1H3,(H,22,23,24)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048180 (CHEMBL3310785) Show SMILES CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C18H15F2N3O3S/c1-2-26-17(25)11-6-10(11)15-12(7-21)16(24)23-18(22-15)27-8-9-4-3-5-13(19)14(9)20/h3-5,10-11H,2,6,8H2,1H3,(H,22,23,24)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair

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