Compile Data Set for Download or QSAR

Found 332 hits with Last Name = 'shapiro' 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
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227363 (CHEMBL299837) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)NC3CCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C28H28ClN5O5S/c1-34-24-13-12-20(31-28(36)30-19-6-5-7-19)16-21(24)23(32-34)14-17-10-11-18(15-25(17)39-2)27(35)33-40(37,38)26-9-4-3-8-22(26)29/h3-4,8-13,15-16,19H,5-7,14H2,1-2H3,(H,33,35)(H2,30,31,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227366 (CHEMBL48927) Show SMILES COCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)OC3CCCC3)ccc12 Show InChI InChI=1S/C32H35N3O7S/c1-40-17-16-35-21-24(28-20-25(14-15-29(28)35)33-32(37)42-26-8-6-7-9-26)18-22-12-13-23(19-30(22)41-2)31(36)34-43(38,39)27-10-4-3-5-11-27/h3-5,10-15,19-21,26H,6-9,16-18H2,1-2H3,(H,33,37)(H,34,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227361 (CHEMBL51585) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H30N4O6S/c1-33-26-15-14-21(30-29(35)39-22-8-6-7-9-22)18-24(26)25(31-33)16-19-12-13-20(17-27(19)38-2)28(34)32-40(36,37)23-10-4-3-5-11-23/h3-5,10-15,17-18,22H,6-9,16H2,1-2H3,(H,30,35)(H,32,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227364 (CHEMBL299093) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C31H33ClN4O5S/c1-36-27-15-14-23(33-30(37)16-20-8-4-3-5-9-20)19-24(27)26(34-36)17-21-12-13-22(18-28(21)41-2)31(38)35-42(39,40)29-11-7-6-10-25(29)32/h6-7,10-15,18-20H,3-5,8-9,16-17H2,1-2H3,(H,33,37)(H,35,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227365 (CHEMBL300096) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C30H31ClN4O5S/c1-35-26-14-13-22(32-29(36)15-19-7-3-4-8-19)18-23(26)25(33-35)16-20-11-12-21(17-27(20)40-2)30(37)34-41(38,39)28-10-6-5-9-24(28)31/h5-6,9-14,17-19H,3-4,7-8,15-16H2,1-2H3,(H,32,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124943 ((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)cncc1Br)c1ccc(Br)cc1 Show InChI InChI=1S/C26H31Br3N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227358 (CHEMBL412056) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C30H32N4O6S/c1-19-8-4-7-11-28(19)41(37,38)33-29(35)21-13-12-20(27(17-21)39-3)16-25-24-18-22(14-15-26(24)34(2)32-25)31-30(36)40-23-9-5-6-10-23/h4,7-8,11-15,17-18,23H,5-6,9-10,16H2,1-3H3,(H,31,36)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227356 (CHEMBL49944) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C29H29ClN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227355 (CHEMBL296821) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br Show InChI InChI=1S/C29H29BrN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227642 (CHEMBL50562) Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-31(37)23-13-12-22(28(18-23)40-3)17-26-25-19-24(14-15-27(25)35(2)33-26)32-30(36)16-21-9-5-6-10-21/h4,7-8,11-15,18-19,21H,5-6,9-10,16-17H2,1-3H3,(H,32,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227640 (CHEMBL297952) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C31H32ClN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50015528 (CHEMBL50370 | N-[3-(4-Benzenesulfonylaminocarbonyl...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H33N3O5S/c1-34-20-24(27-19-25(14-15-28(27)34)32-30(35)16-21-8-6-7-9-21)17-22-12-13-23(18-29(22)39-2)31(36)33-40(37,38)26-10-4-3-5-11-26/h3-5,10-15,18-21H,6-9,16-17H2,1-2H3,(H,32,35)(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124953 ((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1 Show InChI InChI=1S/C26H31BrCl2N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227390 (CHEMBL301616) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br Show InChI InChI=1S/C31H32BrN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50015523 (CHEMBL52492 | N-{4-[5-(3-Cyclopentyl-ureido)-1-pro...) Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)NC3CCCC3)ccc12 Show InChI InChI=1S/C32H36N4O5S/c1-3-17-36-21-24(28-20-26(15-16-29(28)36)34-32(38)33-25-9-7-8-10-25)18-22-13-14-23(19-30(22)41-2)31(37)35-42(39,40)27-11-5-4-6-12-27/h4-6,11-16,19-21,25H,3,7-10,17-18H2,1-2H3,(H,35,37)(H2,33,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50000819 (2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)24-13-12-23(29(18-24)40-3)17-25-20-35(2)28-15-14-26(19-27(25)28)33-31(36)16-22-9-5-6-10-22/h4,7-8,11-15,18-20,22H,5-6,9-10,16-17H2,1-3H3,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227389 (CHEMBL51580) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C30H31ClN4O5S/c1-35-18-21(24-17-23(13-14-26(24)35)33-30(37)32-22-7-3-4-8-22)15-19-11-12-20(16-27(19)40-2)29(36)34-41(38,39)28-10-6-5-9-25(28)31/h5-6,9-14,16-18,22H,3-4,7-8,15H2,1-2H3,(H,34,36)(H2,32,33,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124957 ((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)c[n+]([O-])cc1Br)c1ccc(Br)cc1 Show InChI InChI=1S/C26H31Br3N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50015551 (CHEMBL301498 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H32N4O5S/c1-34-19-22(26-18-24(14-15-27(26)34)32-30(36)31-23-8-6-7-9-23)16-20-12-13-21(17-28(20)39-2)29(35)33-40(37,38)25-10-4-3-5-11-25/h3-5,10-15,17-19,23H,6-9,16H2,1-2H3,(H,33,35)(H2,31,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227367 (CHEMBL48435) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H31N3O6S/c1-33-19-22(26-18-23(14-15-27(26)33)31-30(35)39-24-8-6-7-9-24)16-20-12-13-21(17-28(20)38-2)29(34)32-40(36,37)25-10-4-3-5-11-25/h3-5,10-15,17-19,24H,6-9,16H2,1-2H3,(H,31,35)(H,32,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50015517 (2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...) Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O5S/c1-20-7-3-6-10-29(20)40(37,38)34-31(36)23-12-11-22(28(17-23)39-2)16-24-19-32-27-14-13-25(18-26(24)27)33-30(35)15-21-8-4-5-9-21/h3,6-7,10-14,17-19,21,32H,4-5,8-9,15-16H2,1-2H3,(H,33,35)(H,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104942 ((4-Fluoro-naphthalen-1-yl)-{4-[4-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1 Show InChI InChI=1S/C35H37FN2O4S/c1-42-28-8-12-30(13-9-28)43(40,41)29-10-6-25(7-11-29)24-26-16-20-37(21-17-26)27-18-22-38(23-19-27)35(39)33-14-15-34(36)32-5-3-2-4-31(32)33/h2-15,26-27H,16-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to C-C chemokine receptor type 5				J Med Chem 44: 3339-42 (2001) BindingDB Entry DOI: 10.7270/Q27M0771
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104933 (CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to C-C chemokine receptor type 5				J Med Chem 44: 3339-42 (2001) BindingDB Entry DOI: 10.7270/Q27M0771
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50104933 (CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells				J Med Chem 45: 3143-60 (2002) BindingDB Entry DOI: 10.7270/Q2HD7TZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50104940 (CHEMBL323172 | {4-[(4-Bromo-phenyl)-methoxyimino-m...) Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells				J Med Chem 45: 3143-60 (2002) BindingDB Entry DOI: 10.7270/Q2HD7TZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104940 (CHEMBL323172 | {4-[(4-Bromo-phenyl)-methoxyimino-m...) Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to C-C chemokine receptor type 5				J Med Chem 44: 3339-42 (2001) BindingDB Entry DOI: 10.7270/Q27M0771
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124946 ((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(Br)cc1 Show InChI InChI=1S/C26H31BrCl2N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124956 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(SC)nc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H38BrN5O2S/c1-6-36-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(37-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50104942 ((4-Fluoro-naphthalen-1-yl)-{4-[4-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1 Show InChI InChI=1S/C35H37FN2O4S/c1-42-28-8-12-30(13-9-28)43(40,41)29-10-6-25(7-11-29)24-26-16-20-37(21-17-26)27-18-22-38(23-19-27)35(39)33-14-15-34(36)32-5-3-2-4-31(32)33/h2-15,26-27H,16-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Muscarinic acetylcholine receptor M2				J Med Chem 45: 3143-60 (2002) BindingDB Entry DOI: 10.7270/Q2HD7TZJ
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50015540 (CHEMBL431348 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-30(36)22-13-12-21(28(17-22)40-3)16-23-19-35(2)27-15-14-25(18-26(23)27)33-31(37)32-24-9-5-6-10-24/h4,7-8,11-15,17-19,24H,5-6,9-10,16H2,1-3H3,(H,34,36)(H2,32,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50227638 (CHEMBL49566) Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H29N3O6S/c1-37-27-16-20(28(33)32-39(35,36)24-9-3-2-4-10-24)12-11-19(27)15-21-18-30-26-14-13-22(17-25(21)26)31-29(34)38-23-7-5-6-8-23/h2-4,9-14,16-18,23,30H,5-8,15H2,1H3,(H,31,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50170625 (3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...) Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1Cl Show InChI InChI=1S/C30H30ClFN4O/c31-28-19-24(10-13-29(28)32)34-30(37)36(27-14-16-35(17-15-27)25-6-1-2-7-25)26-11-8-22(9-12-26)23-5-3-4-21(18-23)20-33/h3-5,8-13,18-19,25,27H,1-2,6-7,14-17H2,(H,34,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human melanin concentrating hormone receptor 1				J Med Chem 48: 4746-9 (2005) Article DOI: 10.1021/jm0503852 BindingDB Entry DOI: 10.7270/Q2P55N26
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50184944 (CHEMBL382668 | N-[trans-5-(3-cyanophenyl)bicyclo[3...) Show SMILES Fc1ccc(NC(=O)N(CCCCN2CCCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1C(F)(F)F Show InChI InChI=1S/C30H34F4N4O/c31-26-10-9-23(18-24(26)30(32,33)34)36-28(39)38(16-5-4-15-37-13-2-1-3-14-37)27-11-12-29(19-25(27)29)22-8-6-7-21(17-22)20-35/h6-10,17-18,25,27H,1-5,11-16,19H2,(H,36,39)/t25-,27-,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cell				J Med Chem 49: 2294-310 (2006) Article DOI: 10.1021/jm050886n BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50164243 ((R)-1-(3'-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifl...) Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1 Show InChI InChI=1S/C27H24F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human melanin concentrating hormone receptor 1				J Med Chem 48: 4746-9 (2005) Article DOI: 10.1021/jm0503852 BindingDB Entry DOI: 10.7270/Q2P55N26
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50184925 (CHEMBL380509 | N-[trans-5-(4-fluorophenyl)bicyclo[...) Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)cc2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H33F5N4O/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-21-7-8-24(30)22(17-21)28(31,32)33)25-9-10-27(18-23(25)27)19-3-5-20(29)6-4-19/h3-8,17,23,25H,2,9-16,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cell				J Med Chem 49: 2294-310 (2006) Article DOI: 10.1021/jm050886n BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50115528 ((Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-met...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to C-C chemokine receptor type 5				J Med Chem 44: 3339-42 (2001) BindingDB Entry DOI: 10.7270/Q27M0771
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50170614 (1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...) Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1C(F)(F)F Show InChI InChI=1S/C31H30F4N4O/c32-29-13-10-24(19-28(29)31(33,34)35)37-30(40)39(27-14-16-38(17-15-27)25-6-1-2-7-25)26-11-8-22(9-12-26)23-5-3-4-21(18-23)20-36/h3-5,8-13,18-19,25,27H,1-2,6-7,14-17H2,(H,37,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human melanin concentrating hormone receptor 1				J Med Chem 48: 4746-9 (2005) Article DOI: 10.1021/jm0503852 BindingDB Entry DOI: 10.7270/Q2P55N26
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124958 ((4-{(4-Bromo-phenyl)-[(E)-propoxyimino]-methyl}-4'...) Show SMILES CCCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H38BrN5O2/c1-5-18-36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(4)12-16-33(17-13-28)27(35)25-20(2)30-19-31-21(25)3/h6-9,19,23H,5,10-18H2,1-4H3/b32-26-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50115512 (CHEMBL324671 | {4-[(4-Bromo-phenyl)-methoxyimino-m...) Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells				J Med Chem 45: 3143-60 (2002) BindingDB Entry DOI: 10.7270/Q2HD7TZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50115528 ((Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-met...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells				J Med Chem 45: 3143-60 (2002) BindingDB Entry DOI: 10.7270/Q2HD7TZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104930 ((Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-[1,4...) Show SMILES CO\N=C(/C1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C27H34BrN3O2/c1-19-5-4-6-20(2)25(19)27(32)31-17-13-24(14-18-31)30-15-11-22(12-16-30)26(29-33-3)21-7-9-23(28)10-8-21/h4-10,22,24H,11-18H2,1-3H3/b29-26-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to C-C chemokine receptor type 5				J Med Chem 44: 3339-42 (2001) BindingDB Entry DOI: 10.7270/Q27M0771
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50184935 (3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...) Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccnc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C26H33ClFN5O/c1-31-12-14-32(15-13-31)10-3-11-33(25(34)30-20-5-6-23(28)22(27)16-20)24-7-8-26(17-21(24)26)19-4-2-9-29-18-19/h2,4-6,9,16,18,21,24H,3,7-8,10-15,17H2,1H3,(H,30,34)/t21-,24-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 16: 4262-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.069 BindingDB Entry DOI: 10.7270/Q2BC3Z5G
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50184935 (3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...) Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccnc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C26H33ClFN5O/c1-31-12-14-32(15-13-31)10-3-11-33(25(34)30-20-5-6-23(28)22(27)16-20)24-7-8-26(17-21(24)26)19-4-2-9-29-18-19/h2,4-6,9,16,18,21,24H,3,7-8,10-15,17H2,1H3,(H,30,34)/t21-,24-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cell				J Med Chem 49: 2294-310 (2006) Article DOI: 10.1021/jm050886n BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50145685 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-met...) Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104931 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''...) Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to C-C chemokine receptor type 5				J Med Chem 44: 3339-42 (2001) BindingDB Entry DOI: 10.7270/Q27M0771
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50104931 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''...) Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells				J Med Chem 45: 3143-60 (2002) BindingDB Entry DOI: 10.7270/Q2HD7TZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124951 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H38BrN5O2/c1-6-36-32-26(22-7-9-24(29)10-8-22)23-11-15-34(16-12-23)28(5)13-17-33(18-14-28)27(35)25-19(2)30-21(4)31-20(25)3/h7-10,23H,6,11-18H2,1-5H3/b32-26-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50184928 (CHEMBL382140 | N-[trans-5-(3-cyanophenyl)bicyclo[3...) Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H35F4N5O/c1-37-13-15-38(16-14-37)11-2-3-12-39(28(40)36-23-7-8-26(31)24(18-23)30(32,33)34)27-9-10-29(19-25(27)29)22-6-4-5-21(17-22)20-35/h4-8,17-18,25,27H,2-3,9-16,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cell				J Med Chem 49: 2294-310 (2006) Article DOI: 10.1021/jm050886n BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124948 ((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C27H36BrN5O2/c1-5-35-31-25(21-6-8-23(28)9-7-21)22-10-14-33(15-11-22)27(4)12-16-32(17-13-27)26(34)24-19(2)29-18-30-20(24)3/h6-9,18,22H,5,10-17H2,1-4H3/b31-25+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair

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