Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'caplen' and Initial = 'ma'   

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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186824 (4'-[1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCNCC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C28H22F4N4/c29-22-14-24-23(13-21(22)28(30,31)32)35-25(36-24)27(16-26(27)8-10-34-11-9-26)20-6-4-18(5-7-20)19-3-1-2-17(12-19)15-33/h1-7,12-14,34H,8-11,16H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50170617 (1-(3'-cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...) Show SMILES Clc1cc(Cl)cc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C30H30Cl2N4O/c31-24-17-25(32)19-26(18-24)34-30(37)36(29-12-14-35(15-13-29)27-6-1-2-7-27)28-10-8-22(9-11-28)23-5-3-4-21(16-23)20-33/h3-5,8-11,16-19,27,29H,1-2,6-7,12-15H2,(H,34,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186837 (4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(5.53,-27.52,;4.76,-28.85,;3.23,-28.86,;2.47,-30.18,;.96,-30.5,;.81,-32.03,;2.21,-32.66,;3.23,-31.51,;4.77,-31.52,;5.54,-30.19,;7.08,-30.19,;8.62,-30.18,;7.08,-31.73,;7.08,-28.65,;-.53,-32.81,;-.52,-34.35,;-1.86,-35.11,;-1.86,-36.64,;-.53,-37.42,;-.53,-38.96,;-1.87,-39.72,;-3.41,-39.72,;-2.64,-41.06,;.8,-36.65,;.81,-35.1,;-1.86,-32.04,;-3.2,-32.81,;-4.53,-32.04,;-4.53,-30.5,;-3.2,-29.73,;-1.87,-30.49,;-5.86,-29.73,;-7.19,-30.5,;-8.52,-29.73,;-8.53,-28.19,;-7.19,-27.42,;-5.86,-28.18,;-7.19,-25.87,;-7.19,-24.33,)| Show InChI InChI=1S/C31H26F4N4/c32-26-16-28-27(15-25(26)31(33,34)35)37-30(38-28)29(23-10-12-39(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-36/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186841 (4'-[(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCNCC1)c1ccc(cc1)-c1cccc(c1)C#N |(25.89,-15.32,;25.13,-16.65,;23.6,-16.65,;22.83,-17.98,;21.33,-18.3,;21.17,-19.83,;22.58,-20.46,;23.6,-19.31,;25.13,-19.31,;25.9,-17.98,;27.44,-17.98,;28.98,-17.98,;27.44,-19.52,;27.44,-16.44,;19.84,-20.6,;19.84,-22.14,;18.5,-22.9,;18.5,-24.44,;19.83,-25.21,;21.17,-24.44,;21.17,-22.9,;18.5,-19.84,;17.17,-20.61,;15.83,-19.84,;15.83,-18.29,;17.16,-17.52,;18.5,-18.29,;14.5,-17.52,;13.18,-18.29,;11.84,-17.53,;11.84,-15.98,;13.17,-15.21,;14.5,-15.98,;13.16,-13.67,;13.16,-12.13,)| Show InChI InChI=1S/C27H20F4N4/c28-22-14-24-23(13-21(22)27(29,30)31)34-26(35-24)25(19-8-10-33-11-9-19)18-6-4-17(5-7-18)20-3-1-2-16(12-20)15-32/h1-7,12-14,33H,8-11H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186831 (4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...) Show SMILES Fc1ccc(cc1-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1)C#N |(-5.09,-2.07,;-5.09,-.53,;-6.43,.23,;-6.43,1.78,;-5.1,2.55,;-3.77,1.78,;-3.77,.24,;-2.44,-.53,;-2.44,-2.07,;-1.1,-2.85,;.23,-2.07,;.23,-.52,;-1.11,.24,;1.57,-2.84,;2.9,-2.07,;4.31,-2.69,;5.33,-1.55,;6.86,-1.55,;7.63,-.22,;6.86,1.11,;7.62,2.45,;5.33,1.11,;4.56,-.22,;3.06,-.54,;9.17,-.22,;10.71,-.22,;9.17,-1.76,;9.17,1.32,;1.57,-4.38,;.23,-5.14,;.23,-6.68,;1.56,-7.45,;1.56,-8.99,;.22,-9.76,;-1.31,-9.76,;-.55,-11.09,;2.9,-6.68,;2.9,-5.14,;-5.1,4.1,;-5.1,5.64,)| Show InChI InChI=1S/C31H25F5N4/c32-25-8-3-19(16-37)13-23(25)20-4-6-21(7-5-20)29(22-9-11-40(12-10-22)17-18-1-2-18)30-38-27-14-24(31(34,35)36)26(33)15-28(27)39-30/h3-8,13-15,18H,1-2,9-12,17H2,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186834 (4'-[6-cyclopropylmethyl-1-(5-fluoro-6-trifluoromet...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C32H28F4N4/c33-26-16-28-27(15-25(26)32(34,35)36)38-29(39-28)31(19-30(31)10-12-40(13-11-30)18-20-4-5-20)24-8-6-22(7-9-24)23-3-1-2-21(14-23)17-37/h1-3,6-9,14-16,20H,4-5,10-13,18-19H2,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186854 (4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...) Show SMILES OCCN1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(.26,-46.09,;.27,-44.55,;1.6,-43.78,;1.6,-42.24,;.27,-41.47,;.27,-39.93,;1.61,-39.17,;2.94,-39.93,;2.94,-41.47,;1.61,-37.63,;2.94,-36.86,;4.35,-37.48,;5.37,-36.34,;6.9,-36.34,;7.67,-35.01,;6.9,-33.68,;7.67,-32.34,;5.37,-33.68,;4.61,-35,;3.1,-35.33,;9.21,-35.01,;10.75,-35.01,;9.21,-36.55,;9.21,-33.47,;.28,-36.86,;-1.06,-37.63,;-2.39,-36.86,;-2.39,-35.32,;-1.06,-34.55,;.27,-35.31,;-3.73,-34.55,;-5.05,-35.32,;-6.38,-34.56,;-6.39,-33.01,;-5.05,-32.24,;-3.72,-33.01,;-5.06,-30.7,;-5.06,-29.16,)| Show InChI InChI=1S/C29H24F4N4O/c30-24-16-26-25(15-23(24)29(31,32)33)35-28(36-26)27(21-8-10-37(11-9-21)12-13-38)20-6-4-19(5-7-20)22-3-1-2-18(14-22)17-34/h1-7,14-16,38H,8-13H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186849 (5-{4-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cncc(c1)C#N |(27.19,2.64,;26.42,1.3,;24.89,1.3,;24.13,-.03,;22.62,-.35,;22.46,-1.88,;23.87,-2.51,;24.89,-1.36,;26.42,-1.36,;27.19,-.03,;28.73,-.03,;30.27,-.03,;28.73,-1.57,;28.73,1.51,;21.13,-2.65,;21.13,-4.19,;19.79,-4.95,;19.79,-6.49,;21.12,-7.26,;21.12,-8.8,;19.78,-9.57,;18.25,-9.57,;19.02,-10.91,;22.46,-6.49,;22.46,-4.95,;19.79,-1.88,;18.46,-2.66,;17.12,-1.89,;17.13,-.34,;18.46,.43,;19.79,-.34,;15.79,.43,;14.47,-.34,;13.14,.42,;13.13,1.97,;14.47,2.74,;15.8,1.97,;14.47,4.29,;14.47,5.83,)| Show InChI InChI=1S/C30H25F4N5/c31-25-13-27-26(12-24(25)30(32,33)34)37-29(38-27)28(22-7-9-39(10-8-22)17-18-1-2-18)21-5-3-20(4-6-21)23-11-19(14-35)15-36-16-23/h3-6,11-13,15-16,18H,1-2,7-10,17H2,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186826 (4'-[6-benzyl-1-(5-fluoro-6-trifluoromethyl-1H-benz...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C35H28F4N4/c36-29-19-31-30(18-28(29)35(37,38)39)41-32(42-31)34(27-11-9-25(10-12-27)26-8-4-7-24(17-26)20-40)22-33(34)13-15-43(16-14-33)21-23-5-2-1-3-6-23/h1-12,17-19H,13-16,21-22H2,(H,41,42)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186846 (4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...) Show SMILES Cn1cccc1C(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(-.55,-49.12,;-1.7,-48.09,;-3.2,-48.41,;-3.97,-47.07,;-2.94,-45.93,;-1.54,-46.55,;-.2,-45.79,;1.13,-46.56,;-.2,-44.25,;-1.53,-43.47,;-1.53,-41.94,;-.19,-41.18,;1.14,-41.93,;1.14,-43.48,;-.19,-39.64,;1.14,-38.86,;2.55,-39.49,;3.57,-38.34,;5.1,-38.34,;5.87,-37.02,;5.1,-35.68,;5.86,-34.35,;3.57,-35.69,;2.8,-37.01,;1.3,-37.33,;7.41,-37.02,;8.95,-37.01,;7.41,-38.56,;7.41,-35.48,;-1.53,-38.87,;-2.86,-39.64,;-4.2,-38.87,;-4.19,-37.32,;-2.87,-36.55,;-1.53,-37.32,;-5.53,-36.55,;-6.85,-37.32,;-8.19,-36.56,;-8.19,-35.01,;-6.86,-34.24,;-5.52,-35.01,;-6.86,-32.71,;-6.86,-31.17,)| Show InChI InChI=1S/C33H25F4N5O/c1-41-13-3-6-29(41)32(43)42-14-11-23(12-15-42)30(22-9-7-21(8-10-22)24-5-2-4-20(16-24)19-38)31-39-27-17-25(33(35,36)37)26(34)18-28(27)40-31/h2-10,13,16-18H,11-12,14-15H2,1H3,(H,39,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120157 (C-[(R)-C-((R)-1-Benzhydryl-azetidin-2-yl)-C-(3-tri...) Show SMILES N[C@@H]([C@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F3N2/c25-24(26,27)20-13-7-12-19(16-20)22(28)21-14-15-29(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,28H2/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186835 (4'-[6-(2-diethylamino-ethyl)-1-(5-fluoro-6-trifluo...) Show SMILES CCN(CC)CCN1CCC2(CC2(c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C34H35F4N5/c1-3-42(4-2)16-17-43-14-12-32(13-15-43)22-33(32,26-10-8-24(9-11-26)25-7-5-6-23(18-25)21-39)31-40-29-19-27(34(36,37)38)28(35)20-30(29)41-31/h5-11,18-20H,3-4,12-17,22H2,1-2H3,(H,40,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186830 (4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5,6...) Show SMILES Clc1cc2nc([nH]c2cc1Cl)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(7.77,-.56,;6.23,-.56,;5.46,-1.89,;3.93,-1.89,;2.91,-3.04,;1.5,-2.41,;1.66,-.88,;3.17,-.56,;3.93,.77,;5.46,.77,;6.23,2.1,;.17,-3.18,;.17,-4.72,;-1.16,-5.48,;-1.17,-7.02,;.17,-7.79,;.16,-9.33,;-1.17,-10.1,;-2.71,-10.1,;-1.94,-11.44,;1.5,-7.02,;1.51,-5.48,;-1.16,-2.41,;-2.5,-3.19,;-3.83,-2.42,;-3.83,-.87,;-2.5,-.1,;-1.17,-.87,;-5.16,-.1,;-6.49,-.87,;-7.82,-.11,;-7.83,1.44,;-6.49,2.21,;-5.16,1.44,;-6.49,3.75,;-6.49,5.29,)| Show InChI InChI=1S/C30H26Cl2N4/c31-25-15-27-28(16-26(25)32)35-30(34-27)29(23-10-12-36(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-33/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186847 (2-{4-[(3'-cyano-biphenyl-4-yl)-(5-fluoro-6-trifluo...) Show SMILES NC(=O)CN1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(20.24,-46.14,;20.24,-44.6,;18.91,-43.83,;21.58,-43.83,;21.58,-42.29,;20.25,-41.52,;20.25,-39.98,;21.59,-39.22,;22.92,-39.98,;22.92,-41.52,;21.59,-37.68,;22.92,-36.91,;24.33,-37.53,;25.35,-36.39,;26.88,-36.39,;27.65,-35.06,;26.88,-33.73,;27.64,-32.39,;25.35,-33.73,;24.58,-35.06,;23.08,-35.38,;29.19,-35.06,;30.73,-35.06,;29.19,-36.6,;29.19,-33.52,;20.25,-36.91,;18.92,-37.69,;17.58,-36.91,;17.58,-35.37,;18.91,-34.6,;20.25,-35.36,;16.25,-34.6,;14.93,-35.37,;13.59,-34.61,;13.59,-33.06,;14.92,-32.29,;16.26,-33.06,;14.92,-30.75,;14.92,-29.21,)| Show InChI InChI=1S/C29H23F4N5O/c30-23-14-25-24(13-22(23)29(31,32)33)36-28(37-25)27(20-8-10-38(11-9-20)16-26(35)39)19-6-4-18(5-7-19)21-3-1-2-17(12-21)15-34/h1-7,12-14H,8-11,16H2,(H2,35,39)(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186823 (4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC1)C(=O)c1cccs1)c1ccc(cc1)-c1cccc(c1)C#N |(26.9,-17.52,;26.14,-18.86,;24.61,-18.86,;23.84,-20.19,;22.34,-20.51,;22.18,-22.04,;23.59,-22.66,;24.61,-21.52,;26.14,-21.52,;26.91,-20.19,;28.45,-20.19,;29.99,-20.19,;28.45,-21.73,;28.45,-18.65,;20.85,-22.81,;20.85,-24.35,;19.51,-25.11,;19.51,-26.65,;20.84,-27.42,;22.18,-26.65,;22.18,-25.11,;20.84,-28.96,;22.17,-29.73,;19.5,-29.73,;18.1,-29.1,;17.07,-30.25,;17.83,-31.58,;19.34,-31.27,;19.51,-22.04,;18.17,-22.81,;16.84,-22.04,;16.84,-20.5,;18.17,-19.73,;19.51,-20.49,;15.51,-19.73,;14.19,-20.5,;12.85,-19.74,;12.85,-18.19,;14.18,-17.42,;15.51,-18.19,;14.17,-15.88,;14.17,-14.34,)| Show InChI InChI=1S/C32H22F4N4OS/c33-25-17-27-26(16-24(25)32(34,35)36)38-30(39-27)29(22-10-12-40(13-11-22)31(41)28-5-2-14-42-28)21-8-6-20(7-9-21)23-4-1-3-19(15-23)18-37/h1-9,14-17H,10-13H2,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186839 (4-[(3'-cyano-biphenyl-4-yl)-(5-fluoro-6-trifluorom...) Show SMILES CCN(CC)C(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(-.05,-44.81,;1.29,-44.05,;1.29,-42.51,;-.04,-41.73,;-1.38,-42.5,;2.62,-41.74,;3.96,-42.51,;2.63,-40.2,;1.3,-39.43,;1.3,-37.89,;2.64,-37.13,;3.97,-37.89,;3.96,-39.43,;2.63,-35.59,;3.97,-34.82,;5.37,-35.44,;6.39,-34.3,;7.93,-34.3,;8.7,-32.97,;7.92,-31.64,;8.69,-30.3,;6.39,-31.64,;5.63,-32.96,;4.12,-33.29,;10.24,-32.97,;11.78,-32.97,;10.24,-34.51,;10.24,-31.43,;1.3,-34.82,;-.04,-35.59,;-1.37,-34.82,;-1.37,-33.28,;-.04,-32.51,;1.29,-33.27,;-2.7,-32.51,;-4.03,-33.28,;-5.36,-32.52,;-5.37,-30.97,;-4.03,-30.2,;-2.7,-30.97,;-4.04,-28.66,;-4.04,-27.12,)| Show InChI InChI=1S/C32H29F4N5O/c1-3-40(4-2)31(42)41-14-12-23(13-15-41)29(22-10-8-21(9-11-22)24-7-5-6-20(16-24)19-37)30-38-27-17-25(32(34,35)36)26(33)18-28(27)39-30/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186828 (CHEMBL378310 | {4'-[(1-cyclopropylmethyl-piperidin...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(CC#N)c1 |(6.16,-16.51,;5.39,-17.84,;3.86,-17.85,;3.09,-19.17,;1.59,-19.49,;1.43,-21.02,;2.84,-21.65,;3.86,-20.5,;5.39,-20.5,;6.16,-19.18,;7.7,-19.18,;9.24,-19.17,;7.7,-20.72,;7.7,-17.64,;.1,-21.79,;.1,-23.33,;-1.24,-24.1,;-1.24,-25.63,;.09,-26.4,;.09,-27.94,;-1.25,-28.71,;-2.78,-28.71,;-2.01,-30.05,;1.43,-25.63,;1.43,-24.09,;-1.24,-21.03,;-2.57,-21.8,;-3.91,-21.03,;-3.9,-19.48,;-2.58,-18.71,;-1.24,-19.48,;-5.24,-18.71,;-6.56,-19.48,;-7.89,-18.72,;-7.9,-17.17,;-6.57,-16.4,;-6.57,-14.86,;-5.23,-14.09,;-3.9,-13.32,;-5.23,-17.17,)| Show InChI InChI=1S/C32H28F4N4/c33-27-18-29-28(17-26(27)32(34,35)36)38-31(39-29)30(24-11-14-40(15-12-24)19-21-4-5-21)23-8-6-22(7-9-23)25-3-1-2-20(16-25)10-13-37/h1-3,6-9,16-18,21H,4-5,10-12,14-15,19H2,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120162 (C-((R)-C-(3-Chloro-phenyl)-C-{(S)-1-[1-(3-fluoro-p...) Show SMILES CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cccc(F)c1 Show InChI InChI=1S/C21H26ClFN2/c1-2-3-10-19(15-6-5-9-18(23)14-15)25-12-11-20(25)21(24)16-7-4-8-17(22)13-16/h4-9,13-14,19-21H,2-3,10-12,24H2,1H3/t19?,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120151 (C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-pent...) Show SMILES CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C21H27ClN2/c1-2-3-12-19(16-8-5-4-6-9-16)24-14-13-20(24)21(23)17-10-7-11-18(22)15-17/h4-11,15,19-21H,2-3,12-14,23H2,1H3/t19?,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 Binding affinity at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120147 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-tri...) Show SMILES N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F3N2/c25-24(26,27)20-13-7-12-19(16-20)22(28)21-14-15-29(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,28H2/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	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 at human opioid receptor kappa 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120147 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-tri...) Show SMILES N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F3N2/c25-24(26,27)20-13-7-12-19(16-20)22(28)21-14-15-29(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,28H2/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186842 (4'-[(1-cyclopropanecarbonyl-piperidin-4-ylidene)-(...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC1)C(=O)C1CC1)c1ccc(cc1)-c1cccc(c1)C#N |(7.48,-18.01,;6.72,-19.35,;5.19,-19.35,;4.42,-20.67,;2.92,-20.99,;2.76,-22.53,;4.17,-23.15,;5.19,-22,;6.72,-22.01,;7.49,-20.68,;9.03,-20.68,;10.57,-20.67,;9.03,-22.22,;9.03,-19.14,;1.43,-23.3,;1.43,-24.84,;.09,-25.6,;.09,-27.13,;1.42,-27.91,;2.76,-27.14,;2.76,-25.59,;1.42,-29.45,;2.75,-30.22,;.08,-30.22,;-1.45,-30.22,;-.69,-31.55,;.09,-22.53,;-1.24,-23.3,;-2.58,-22.53,;-2.57,-20.99,;-1.25,-20.22,;.09,-20.98,;-3.91,-20.22,;-5.23,-20.99,;-6.57,-20.22,;-6.57,-18.68,;-5.24,-17.91,;-3.9,-18.68,;-5.24,-16.37,;-5.24,-14.83,)| Show InChI InChI=1S/C31H24F4N4O/c32-25-16-27-26(15-24(25)31(33,34)35)37-29(38-27)28(21-10-12-39(13-11-21)30(40)22-8-9-22)20-6-4-19(5-7-20)23-3-1-2-18(14-23)17-36/h1-7,14-16,22H,8-13H2,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186844 (4'-[(1-acetyl-piperidin-4-ylidene)-(5-fluoro-6-tri...) Show SMILES CC(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(19.68,-12.41,;21.01,-11.64,;22.34,-12.42,;21.01,-10.1,;19.68,-9.33,;19.68,-7.8,;21.02,-7.03,;22.35,-7.79,;22.35,-9.33,;21.02,-5.49,;22.35,-4.72,;23.76,-5.35,;24.78,-4.2,;26.31,-4.2,;27.08,-2.87,;26.31,-1.54,;27.08,-.21,;24.78,-1.54,;24.02,-2.87,;22.51,-3.19,;28.62,-2.87,;30.16,-2.87,;28.63,-4.41,;28.62,-1.33,;19.69,-4.73,;18.35,-5.5,;17.02,-4.73,;17.02,-3.18,;18.35,-2.41,;19.68,-3.18,;15.68,-2.41,;14.36,-3.18,;13.03,-2.42,;13.02,-.87,;14.36,-.1,;15.69,-.87,;14.35,1.44,;14.35,2.98,)| Show InChI InChI=1S/C29H22F4N4O/c1-17(38)37-11-9-21(10-12-37)27(20-7-5-19(6-8-20)22-4-2-3-18(13-22)16-34)28-35-25-14-23(29(31,32)33)24(30)15-26(25)36-28/h2-8,13-15H,9-12H2,1H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186855 (1-(3'-cyano-biphenyl-4-yl)-1-(5-fluoro-6-trifluoro...) Show SMILES CN(C)C(=O)N1CCC2(CC2(c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C31H27F4N5O/c1-39(2)28(41)40-12-10-29(11-13-40)18-30(29,22-8-6-20(7-9-22)21-5-3-4-19(14-21)17-36)27-37-25-15-23(31(33,34)35)24(32)16-26(25)38-27/h3-9,14-16H,10-13,18H2,1-2H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120140 (C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-hexy...) Show SMILES CCCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C22H29ClN2/c1-2-3-5-13-20(17-9-6-4-7-10-17)25-15-14-21(25)22(24)18-11-8-12-19(23)16-18/h4,6-12,16,20-22H,2-3,5,13-15,24H2,1H3/t20?,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186833 (4-[(3'-cyano-biphenyl-4-yl)-(5-fluoro-6-trifluorom...) Show SMILES CN(C)C(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(7.19,-37.14,;8.52,-37.92,;8.51,-39.46,;9.85,-37.15,;11.19,-37.92,;9.86,-35.61,;8.52,-34.83,;8.53,-33.3,;9.86,-32.54,;11.2,-33.29,;11.19,-34.84,;9.86,-31,;11.19,-30.23,;12.6,-30.85,;13.62,-29.71,;15.15,-29.71,;15.92,-28.38,;15.15,-27.05,;15.92,-25.71,;13.62,-27.05,;12.86,-28.37,;11.35,-28.7,;17.46,-28.38,;19,-28.37,;17.47,-29.92,;17.46,-26.84,;8.53,-30.23,;7.19,-31,;5.86,-30.23,;5.86,-28.69,;7.19,-27.92,;8.52,-28.68,;4.53,-27.92,;3.2,-28.69,;1.87,-27.93,;1.86,-26.38,;3.2,-25.61,;4.53,-26.38,;3.19,-24.07,;3.19,-22.53,)| Show InChI InChI=1S/C30H25F4N5O/c1-38(2)29(40)39-12-10-21(11-13-39)27(20-8-6-19(7-9-20)22-5-3-4-18(14-22)17-35)28-36-25-15-23(30(32,33)34)24(31)16-26(25)37-28/h3-9,14-16H,10-13H2,1-2H3,(H,36,37)	Reactome pathway 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
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120156 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-chl...) Show SMILES N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2/c24-20-13-7-12-19(16-20)22(25)21-14-15-26(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,25H2/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	37	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186845 (CHEMBL209123 | [1-(3'-cyano-biphenyl-4-yl)-1-(5-fl...) Show SMILES OC(=O)CN1CCC2(CC2(c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C30H24F4N4O2/c31-23-14-25-24(13-22(23)30(32,33)34)36-27(37-25)29(17-28(29)8-10-38(11-9-28)16-26(39)40)21-6-4-19(5-7-21)20-3-1-2-18(12-20)15-35/h1-7,12-14H,8-11,16-17H2,(H,36,37)(H,39,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186852 (4'-[1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(CC1)C(=O)N1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C33H29F4N5O/c34-26-18-28-27(17-25(26)33(35,36)37)39-29(40-28)32(24-8-6-22(7-9-24)23-5-3-4-21(16-23)19-38)20-31(32)10-14-42(15-11-31)30(43)41-12-1-2-13-41/h3-9,16-18H,1-2,10-15,20H2,(H,39,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186848 (4'-[(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(Cc2nccs2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(6.52,2.13,;5.75,.8,;4.22,.8,;3.46,-.53,;1.95,-.85,;1.79,-2.38,;3.2,-3.01,;4.22,-1.86,;5.75,-1.86,;6.52,-.54,;8.06,-.54,;9.6,-.53,;8.07,-2.08,;8.06,1,;.46,-3.15,;.46,-4.69,;-.87,-5.46,;-.88,-6.99,;.46,-7.76,;.45,-9.3,;-.88,-10.07,;-2.29,-9.45,;-3.32,-10.59,;-2.55,-11.92,;-1.04,-11.61,;1.79,-6.99,;1.8,-5.45,;-.87,-2.39,;-2.21,-3.16,;-3.54,-2.39,;-3.54,-.84,;-2.21,-.07,;-.88,-.84,;-4.87,-.07,;-6.2,-.84,;-7.53,-.08,;-7.54,1.47,;-6.2,2.24,;-4.87,1.47,;-6.21,3.78,;-6.21,5.32,)| Show InChI InChI=1S/C31H23F4N5S/c32-25-16-27-26(15-24(25)31(33,34)35)38-30(39-27)29(22-8-11-40(12-9-22)18-28-37-10-13-41-28)21-6-4-20(5-7-21)23-3-1-2-19(14-23)17-36/h1-7,10,13-16H,8-9,11-12,18H2,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120137 (C-((R)-C-(3-Chloro-phenyl)-C-{(S)-1-[1-(3,5-difluo...) Show SMILES CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H25ClF2N2/c1-2-3-7-19(15-11-17(23)13-18(24)12-15)26-9-8-20(26)21(25)14-5-4-6-16(22)10-14/h4-6,10-13,19-21H,2-3,7-9,25H2,1H3/t19?,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186829 (4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5,6...) Show SMILES Fc1cc2nc([nH]c2cc1F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(27.1,-.72,;25.56,-.72,;24.79,-2.05,;23.25,-2.05,;22.23,-3.2,;20.83,-2.57,;20.99,-1.04,;22.49,-.72,;23.25,.61,;24.78,.61,;25.55,1.95,;19.5,-3.34,;19.5,-4.88,;18.16,-5.64,;18.16,-7.18,;19.49,-7.95,;19.49,-9.49,;18.15,-10.26,;16.61,-10.26,;17.38,-11.6,;20.82,-7.18,;20.83,-5.64,;18.16,-2.57,;16.82,-3.35,;15.49,-2.58,;15.49,-1.03,;16.82,-.26,;18.16,-1.03,;14.16,-.26,;12.83,-1.03,;11.5,-.27,;11.5,1.28,;12.83,2.05,;14.16,1.28,;12.83,3.6,;12.83,5.14,)| Show InChI InChI=1S/C30H26F2N4/c31-25-15-27-28(16-26(25)32)35-30(34-27)29(23-10-12-36(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-33/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	52	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120167 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-flu...) Show SMILES Cc1ccc(cc1F)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25FN2/c1-17-12-13-20(16-21(17)25)23(26)22-14-15-27(22)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22-24H,14-15,26H2,1H3/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	58	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186858 (4-[(3'-cyano-biphenyl-4-yl)-(5-fluoro-6-trifluorom...) Show SMILES CN(C)S(=O)(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(19.91,-30.21,;21.24,-29.43,;22.57,-30.2,;21.24,-27.89,;22.77,-27.89,;19.69,-27.89,;21.24,-26.35,;19.91,-25.58,;19.91,-24.05,;21.25,-23.28,;22.58,-24.04,;22.58,-25.58,;21.25,-21.74,;22.58,-20.97,;23.99,-21.6,;25.01,-20.45,;26.54,-20.45,;27.31,-19.12,;26.54,-17.79,;27.3,-16.46,;25.01,-17.79,;24.24,-19.12,;22.74,-19.44,;28.85,-19.13,;30.39,-19.12,;28.85,-20.67,;28.85,-17.59,;19.91,-20.98,;18.57,-21.75,;17.24,-20.98,;17.24,-19.43,;18.57,-18.66,;19.91,-19.43,;15.91,-18.66,;14.59,-19.43,;13.25,-18.67,;13.25,-17.12,;14.58,-16.35,;15.91,-17.12,;14.57,-14.81,;14.57,-13.27,)| Show InChI InChI=1S/C29H25F4N5O2S/c1-37(2)41(39,40)38-12-10-21(11-13-38)27(20-8-6-19(7-9-20)22-5-3-4-18(14-22)17-34)28-35-25-15-23(29(31,32)33)24(30)16-26(25)36-28/h3-9,14-16H,10-13H2,1-2H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120166 (C-[(R)-C-{(S)-1-[Bis-(3-fluoro-phenyl)-methyl]-aze...) Show SMILES N[C@@H]([C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H21ClF2N2/c24-18-7-1-4-15(12-18)22(27)21-10-11-28(21)23(16-5-2-8-19(25)13-16)17-6-3-9-20(26)14-17/h1-9,12-14,21-23H,10-11,27H2/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186851 (4'-[1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol...) Show SMILES CC(C)S(=O)(=O)N1CCC2(CC2(c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C31H28F4N4O2S/c1-19(2)42(40,41)39-12-10-29(11-13-39)18-30(29,23-8-6-21(7-9-23)22-5-3-4-20(14-22)17-36)28-37-26-15-24(31(33,34)35)25(32)16-27(26)38-28/h3-9,14-16,19H,10-13,18H2,1-2H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186838 (4'-[(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...) Show SMILES CS(=O)(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(20.07,-11.03,;20.07,-9.49,;21.6,-9.49,;18.52,-9.49,;20.07,-7.95,;18.74,-7.18,;18.74,-5.64,;20.08,-4.88,;21.41,-5.64,;21.41,-7.18,;20.08,-3.34,;21.41,-2.57,;22.82,-3.2,;23.84,-2.05,;25.37,-2.05,;26.14,-.72,;25.37,.61,;26.13,1.95,;23.84,.61,;23.07,-.72,;21.57,-1.04,;27.68,-.72,;29.22,-.72,;27.68,-2.26,;27.68,.82,;18.74,-2.57,;17.41,-3.35,;16.07,-2.58,;16.07,-1.03,;17.4,-.26,;18.74,-1.03,;14.74,-.26,;13.42,-1.03,;12.08,-.27,;12.08,1.28,;13.41,2.05,;14.74,1.28,;13.4,3.59,;13.4,5.13,)| Show InChI InChI=1S/C28H22F4N4O2S/c1-39(37,38)36-11-9-20(10-12-36)26(19-7-5-18(6-8-19)21-4-2-3-17(13-21)16-33)27-34-24-14-22(28(30,31)32)23(29)15-25(24)35-27/h2-8,13-15H,9-12H2,1H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186836 (4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...) Show SMILES NC(=O)c1cccc(c1)-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1 |(-4.22,4.69,;-5.56,3.92,;-6.89,4.69,;-5.56,2.38,;-6.89,1.61,;-6.89,.06,;-5.55,-.71,;-4.23,.06,;-4.22,1.61,;-2.89,-.7,;-2.9,-2.25,;-1.56,-3.02,;-.23,-2.25,;-.23,-.7,;-1.57,.07,;1.11,-3.02,;2.44,-2.24,;3.85,-2.87,;4.87,-1.72,;6.4,-1.73,;7.17,-.4,;6.4,.94,;7.17,2.27,;4.87,.93,;4.1,-.39,;2.6,-.71,;8.71,-.4,;10.25,-.39,;8.71,-1.94,;8.71,1.14,;1.11,-4.56,;-.23,-5.32,;-.23,-6.85,;1.1,-7.63,;1.1,-9.17,;-.24,-9.93,;-1.77,-9.93,;-1,-11.27,;2.44,-6.86,;2.44,-5.31,)| Show InChI InChI=1S/C31H28F4N4O/c32-25-16-27-26(15-24(25)31(33,34)35)37-30(38-27)28(21-10-12-39(13-11-21)17-18-4-5-18)20-8-6-19(7-9-20)22-2-1-3-23(14-22)29(36)40/h1-3,6-9,14-16,18H,4-5,10-13,17H2,(H2,36,40)(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120145 (C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-buty...) Show SMILES CCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C20H25ClN2/c1-2-7-18(15-8-4-3-5-9-15)23-13-12-19(23)20(22)16-10-6-11-17(21)14-16/h3-6,8-11,14,18-20H,2,7,12-13,22H2,1H3/t18?,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186856 (4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(4,6...) Show SMILES Clc1cc(Cl)c2[nH]c(nc2c1)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(15.03,1.12,;13.49,1.12,;12.72,2.46,;11.19,2.45,;10.42,3.78,;10.42,1.13,;8.92,.81,;8.76,-.73,;10.17,-1.35,;11.19,-.2,;12.72,-.21,;7.43,-1.5,;7.43,-3.04,;6.09,-3.8,;6.09,-5.33,;7.42,-6.11,;7.42,-7.65,;6.08,-8.42,;4.55,-8.42,;5.32,-9.75,;8.76,-5.34,;8.76,-3.79,;6.09,-.73,;4.76,-1.5,;3.42,-.73,;3.43,.81,;4.75,1.58,;6.09,.82,;2.09,1.58,;.77,.81,;-.57,1.58,;-.57,3.12,;.76,3.89,;2.1,3.12,;.77,5.44,;.77,6.98,)| Show InChI InChI=1S/C30H26Cl2N4/c31-25-15-26(32)29-27(16-25)34-30(35-29)28(23-10-12-36(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-33/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	87	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120139 (C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-prop...) Show SMILES CCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C19H23ClN2/c1-2-17(14-7-4-3-5-8-14)22-12-11-18(22)19(21)15-9-6-10-16(20)13-15/h3-10,13,17-19H,2,11-12,21H2,1H3/t17?,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120149 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-p-toly...) Show SMILES Cc1ccc(cc1)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26N2/c1-18-12-14-19(15-13-18)23(25)22-16-17-26(22)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22-24H,16-17,25H2,1H3/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	94	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186827 (2-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(4-py...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cncnc1 |(28.2,-34.8,;27.43,-36.13,;25.9,-36.14,;25.14,-37.46,;23.63,-37.78,;23.47,-39.31,;24.88,-39.94,;25.9,-38.79,;27.43,-38.8,;28.2,-37.47,;29.74,-37.47,;31.28,-37.46,;29.74,-39.01,;29.74,-35.93,;22.14,-40.09,;22.14,-41.63,;20.8,-42.39,;20.8,-43.92,;22.13,-44.7,;22.13,-46.24,;20.79,-47,;19.26,-47,;20.03,-48.34,;23.47,-43.93,;23.47,-42.38,;20.8,-39.32,;19.47,-40.09,;18.13,-39.32,;18.14,-37.77,;19.47,-37,;20.8,-37.77,;16.8,-37.01,;16.81,-35.46,;15.48,-34.69,;14.14,-35.46,;14.15,-37.01,;15.48,-37.78,)| Show InChI InChI=1S/C28H25F4N5/c29-23-12-25-24(11-22(23)28(30,31)32)35-27(36-25)26(20-7-9-37(10-8-20)15-17-1-2-17)19-5-3-18(4-6-19)21-13-33-16-34-14-21/h3-6,11-14,16-17H,1-2,7-10,15H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186825 (5-{4-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5...) Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cc(c[nH]c1=O)C#N |(28.03,-17.76,;27.26,-19.1,;25.73,-19.1,;24.97,-20.43,;23.46,-20.75,;23.3,-22.28,;24.71,-22.9,;25.73,-21.76,;27.26,-21.76,;28.03,-20.43,;29.57,-20.43,;31.11,-20.43,;29.58,-21.97,;29.57,-18.89,;21.97,-23.05,;21.97,-24.59,;20.64,-25.35,;20.63,-26.89,;21.97,-27.66,;21.96,-29.2,;20.63,-29.97,;19.09,-29.97,;19.86,-31.3,;23.3,-26.89,;23.31,-25.35,;20.64,-22.28,;19.3,-23.05,;17.97,-22.28,;17.97,-20.74,;19.3,-19.97,;20.63,-20.73,;16.64,-19.97,;15.31,-20.74,;13.98,-19.98,;13.97,-18.43,;15.31,-17.66,;16.64,-18.43,;17.98,-17.66,;12.65,-20.75,;11.32,-21.53,)| Show InChI InChI=1S/C30H25F4N5O/c31-24-13-26-25(12-23(24)30(32,33)34)37-28(38-26)27(21-7-9-39(10-8-21)16-17-1-2-17)20-5-3-19(4-6-20)22-11-18(14-35)15-36-29(22)40/h3-6,11-13,15,17H,1-2,7-10,16H2,(H,36,40)(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50120155 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3,5-d...) Show SMILES N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C23H22F2N2/c24-19-13-18(14-20(25)15-19)22(26)21-11-12-27(21)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,21-23H,11-12,26H2/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	105	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 at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186840 (4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(1.54,-28.79,;2.87,-28.02,;4.21,-28.79,;2.87,-26.48,;4.41,-26.47,;1.33,-26.47,;2.88,-24.94,;1.54,-24.16,;1.54,-22.63,;2.88,-21.87,;4.22,-22.62,;4.21,-24.17,;2.88,-20.33,;4.21,-19.55,;5.62,-20.18,;6.64,-19.03,;8.17,-19.04,;8.94,-17.71,;8.17,-16.37,;8.94,-15.04,;6.64,-16.38,;5.88,-17.7,;4.37,-18.02,;10.48,-17.71,;12.02,-17.7,;10.49,-19.25,;10.48,-16.17,;1.55,-19.56,;.21,-20.33,;-1.12,-19.56,;-1.12,-18.02,;.21,-17.24,;1.54,-18.01,;-2.46,-17.25,;-3.78,-18.02,;-5.11,-17.25,;-5.12,-15.71,;-3.78,-14.93,;-2.45,-15.7,;-3.79,-13.4,;-3.79,-11.86,)| Show InChI InChI=1S/C30H26F4N4O2S/c1-18(2)41(39,40)38-12-10-22(11-13-38)28(21-8-6-20(7-9-21)23-5-3-4-19(14-23)17-35)29-36-26-15-24(30(32,33)34)25(31)16-27(26)37-29/h3-9,14-16,18H,10-13H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186850 (2-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(3'-m...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1 |(14.57,4.59,;14.58,3.04,;16.12,3.05,;13.04,3.06,;14.58,1.5,;13.25,.73,;13.25,-.81,;14.59,-1.58,;15.91,-.81,;15.91,.73,;17.24,-1.58,;17.24,-3.12,;18.57,-3.89,;19.91,-3.12,;19.91,-1.57,;18.57,-.81,;21.25,-3.89,;22.58,-3.12,;23.99,-3.74,;25.01,-2.59,;26.54,-2.6,;27.31,-1.27,;26.53,.06,;27.3,1.4,;25.01,.06,;24.24,-1.26,;22.74,-1.58,;28.85,-1.27,;30.39,-1.26,;28.85,-2.81,;28.85,.27,;21.25,-5.43,;19.91,-6.19,;19.91,-7.72,;21.24,-8.5,;21.24,-10.04,;19.9,-10.81,;18.37,-10.81,;19.13,-12.14,;22.58,-7.73,;22.58,-6.18,)| Show InChI InChI=1S/C31H29F4N3O2S/c1-41(39,40)24-4-2-3-23(15-24)20-7-9-21(10-8-20)29(22-11-13-38(14-12-22)18-19-5-6-19)30-36-27-16-25(31(33,34)35)26(32)17-28(27)37-30/h2-4,7-10,15-17,19H,5-6,11-14,18H2,1H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50186843 (2-[(3'-cyano-biphenyl-4-yl)-(1-cyclopropylmethyl-p...) Show SMILES N#Cc1cccc(c1)-c1ccc(cc1)C(c1nc2ccc(cc2[nH]1)C#N)=C1CCN(CC2CC2)CC1 |(13.27,-3.14,;13.27,-4.68,;13.27,-6.23,;11.94,-7,;11.94,-8.54,;13.28,-9.31,;14.6,-8.54,;14.61,-6.99,;15.94,-9.31,;15.93,-10.85,;17.27,-11.62,;18.6,-10.85,;18.6,-9.3,;17.26,-8.53,;19.94,-11.62,;21.27,-10.84,;22.68,-11.47,;23.7,-10.32,;25.23,-10.33,;26,-9,;25.23,-7.66,;23.7,-7.67,;22.93,-8.99,;21.43,-9.31,;25.99,-6.33,;26.76,-5,;19.94,-13.16,;18.6,-13.92,;18.6,-15.45,;19.93,-16.23,;19.93,-17.77,;18.59,-18.53,;17.06,-18.53,;17.82,-19.87,;21.27,-15.46,;21.27,-13.91,)| Show InChI InChI=1S/C31H27N5/c32-18-22-2-1-3-27(16-22)24-7-9-25(10-8-24)30(26-12-14-36(15-13-26)20-21-4-5-21)31-34-28-11-6-23(19-33)17-29(28)35-31/h1-3,6-11,16-17,21H,4-5,12-15,20H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	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 human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay				Bioorg Med Chem Lett 16: 3674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.062 BindingDB Entry DOI: 10.7270/Q2XG9QQB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50120167 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-flu...) Show SMILES Cc1ccc(cc1F)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25FN2/c1-17-12-13-20(16-21(17)25)23(26)22-14-15-27(22)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22-24H,14-15,26H2,1H3/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at human opioid receptor kappa 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120167 (C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-flu...) Show SMILES Cc1ccc(cc1F)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25FN2/c1-17-12-13-20(16-21(17)25)23(26)22-14-15-27(22)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22-24H,14-15,26H2,1H3/t22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	152	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 at human opioid receptor mu 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.12...				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
					More data for this Ligand-Target Pair

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