Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'wagaw' 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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50162116 (2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1 Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50171590 (CHEMBL194697 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...) Show SMILES Clc1ccc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H25ClN4O3S/c25-17-2-3-20(27-13-23-26-7-10-33-23)19(12-17)24(30)28-18-5-8-29(9-6-18)14-16-1-4-21-22(11-16)32-15-31-21/h1-4,7,10-12,18,27H,5-6,8-9,13-15H2,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50173460 (4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...) Show SMILES COc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-27-17-3-5-20-18(11-17)19(12-23(26)30-20)24-16-6-8-25(9-7-16)13-15-2-4-21-22(10-15)29-14-28-21/h2-5,10-12,16,24H,6-9,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13760 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H27ClN2O3/c1-20(2,27-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25/h3-6,12-14,17H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50185040 (CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...) Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13756 ((1R,3R,4S,7S)-4-(2-methyl-2-phenoxypropanamido)ada...) Show SMILES CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13-,14+,15?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13761 ((1R,3R,4S,7S)-4-[2-(4-methoxyphenoxy)-2-methylprop...) Show SMILES COc1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@@H]2C[C@](C4)(C3)C(N)=O)cc1 |r,wU:16.15,18.17,13.12,wD:20.25,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(19.76,-3.29,;18.43,-2.52,;17.1,-3.29,;15.76,-2.52,;14.43,-3.29,;14.43,-4.83,;12.94,-5.22,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,;15.76,-5.6,;17.1,-4.83,)| Show InChI InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13-,14+,15?,18+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13768 (N-[(1R,2S,5R,7S)-5-[(carbamoylmethyl)carbamoyl]ada...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCC(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;.24,-10.16,)| Show InChI InChI=1S/C23H30ClN3O4/c1-22(2,31-17-5-3-16(24)4-6-17)20(29)27-19-14-7-13-8-15(19)11-23(9-13,10-14)21(30)26-12-18(25)28/h3-6,13-15,19H,7-12H2,1-2H3,(H2,25,28)(H,26,30)(H,27,29)/t13-,14+,15?,19+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50185041 (CHEMBL380429 | N-(4-phenoxyphenyl)-N'-[1-(2-azepan...) Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCCCC3)ncc2c1 Show InChI InChI=1S/C28H31N5O2/c34-28(30-23-10-13-26(14-11-23)35-25-8-4-3-5-9-25)31-24-12-15-27-22(20-24)21-29-33(27)19-18-32-16-6-1-2-7-17-32/h3-5,8-15,20-21H,1-2,6-7,16-19H2,(H2,30,31,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13756 ((1R,3R,4S,7S)-4-(2-methyl-2-phenoxypropanamido)ada...) Show SMILES CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13-,14+,15?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20722 ((1R,2R)-2-({4-[4-({[2-fluoro-5-(trifluoromethyl)ph...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H22F4N2O4/c28-22-13-10-18(27(29,30)31)14-23(22)33-26(37)32-19-11-8-16(9-12-19)15-4-6-17(7-5-15)24(34)20-2-1-3-21(20)25(35)36/h4-14,20-21H,1-3H2,(H,35,36)(H2,32,33,37)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50174908 (CHEMBL427367 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C27H27N5O4/c33-32(34)22-7-8-24-23(15-22)27(29-31(24)17-19-4-2-1-3-5-19)28-21-10-12-30(13-11-21)16-20-6-9-25-26(14-20)36-18-35-25/h1-9,14-15,21H,10-13,16-18H2,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human MCHr1 from neuronal IMR32 cells				Bioorg Med Chem Lett 15: 5293-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.049 BindingDB Entry DOI: 10.7270/Q2GQ6X9P
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50185044 (CHEMBL383078 | N-(4-phenoxyphenyl)-N'-[1-(2-piperi...) Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCCC3)ncc2c1 Show InChI InChI=1S/C27H29N5O2/c33-27(29-22-9-12-25(13-10-22)34-24-7-3-1-4-8-24)30-23-11-14-26-21(19-23)20-28-32(26)18-17-31-15-5-2-6-16-31/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H2,29,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13760 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H27ClN2O3/c1-20(2,27-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25/h3-6,12-14,17H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13761 ((1R,3R,4S,7S)-4-[2-(4-methoxyphenoxy)-2-methylprop...) Show SMILES COc1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@@H]2C[C@](C4)(C3)C(N)=O)cc1 |r,wU:16.15,18.17,13.12,wD:20.25,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(19.76,-3.29,;18.43,-2.52,;17.1,-3.29,;15.76,-2.52,;14.43,-3.29,;14.43,-4.83,;12.94,-5.22,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,;15.76,-5.6,;17.1,-4.83,)| Show InChI InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13-,14+,15?,18+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13770 (2-(4-chlorophenoxy)-N-[(1R,2S,5R,7S)-5-(hydroxymet...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](CO)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:25:21:18:16.15.14,THB:16:17:20:25.15.14,24:17:14:25.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;3.21,-7.32,;6.26,-7.03,)| Show InChI InChI=1S/C21H28ClNO3/c1-20(2,26-17-5-3-16(22)4-6-17)19(25)23-18-14-7-13-8-15(18)11-21(9-13,10-14)12-24/h3-6,13-15,18,24H,7-12H2,1-2H3,(H,23,25)/t13-,14+,15?,18+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20721 ((1R,2R)-2-{[4-(4-{[(3-chlorophenyl)carbamoyl]amino...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C26H23ClN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50174921 (CHEMBL196973 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...) Show SMILES [O-][N+](=O)c1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C20H21N5O4/c26-25(27)15-2-3-17-16(10-15)20(23-22-17)21-14-5-7-24(8-6-14)11-13-1-4-18-19(9-13)29-12-28-18/h1-4,9-10,14H,5-8,11-12H2,(H2,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human MCHr1 from neuronal IMR32 cells				Bioorg Med Chem Lett 15: 5293-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.049 BindingDB Entry DOI: 10.7270/Q2GQ6X9P
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50185042 (CHEMBL206081 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...) Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20716 ((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20727 ((1R,2R)-2-[(4-{4-[(2H-1,3-benzodioxol-5-ylcarbamoy...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc3OCOc3c2)cc1 |r| Show InChI InChI=1S/C27H24N2O6/c30-25(21-2-1-3-22(21)26(31)32)18-6-4-16(5-7-18)17-8-10-19(11-9-17)28-27(33)29-20-12-13-23-24(14-20)35-15-34-23/h4-14,21-22H,1-3,15H2,(H,31,32)(H2,28,29,33)/t21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50174920 (CHEMBL199025 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...) Show SMILES Clc1ccc2n(Cc3ccncc3)nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C26H26ClN5O2/c27-20-2-3-23-22(14-20)26(30-32(23)16-18-5-9-28-10-6-18)29-21-7-11-31(12-8-21)15-19-1-4-24-25(13-19)34-17-33-24/h1-6,9-10,13-14,21H,7-8,11-12,15-17H2,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human MCHr1 from neuronal IMR32 cells				Bioorg Med Chem Lett 15: 5293-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.049 BindingDB Entry DOI: 10.7270/Q2GQ6X9P
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13757 ((1R,3R,4S,7S)-4-[2-(2-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H26ClNO4/c1-20(2,27-16-6-4-3-5-15(16)22)18(24)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13757 ((1R,3R,4S,7S)-4-[2-(2-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H26ClNO4/c1-20(2,27-16-6-4-3-5-15(16)22)18(24)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13769 (2-(4-chlorophenoxy)-2-methyl-N-[(1R,2S,5R,7S)-5-{[...) Show SMILES CNC(=O)NC(=O)[C@@]12C[C@@H]3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 |r,wU:9.9,28.30,13.14,wD:7.6,TLB:12:7:29:10.11.13,10:9:30:12.11.13,THB:8:9:13:12.30.7,5:7:29:10.11.13,(-1.09,-7.85,;.24,-8.62,;1.58,-7.85,;2.91,-8.62,;1.58,-6.31,;2.91,-5.54,;2.51,-4.05,;4.24,-6.31,;3.21,-7.32,;4.72,-7.16,;6.94,-7.93,;7.61,-6.76,;6.26,-7.03,;7.61,-5.22,;8.94,-4.45,;10.27,-5.22,;10.27,-6.76,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;6.04,-4.32,;4.72,-5.12,;4.24,-5.07,)| Show InChI InChI=1S/C23H30ClN3O4/c1-22(2,31-17-6-4-16(24)5-7-17)19(28)26-18-14-8-13-9-15(18)12-23(10-13,11-14)20(29)27-21(30)25-3/h4-7,13-15,18H,8-12H2,1-3H3,(H,26,28)(H2,25,27,29,30)/t13-,14+,15?,18+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50174919 (CHEMBL371222 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...) Show SMILES COc1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C21H24N4O3/c1-26-16-3-4-18-17(11-16)21(24-23-18)22-15-6-8-25(9-7-15)12-14-2-5-19-20(10-14)28-13-27-19/h2-5,10-11,15H,6-9,12-13H2,1H3,(H2,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human MCHr1 from neuronal IMR32 cells				Bioorg Med Chem Lett 15: 5293-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.049 BindingDB Entry DOI: 10.7270/Q2GQ6X9P
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13770 (2-(4-chlorophenoxy)-N-[(1R,2S,5R,7S)-5-(hydroxymet...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](CO)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:25:21:18:16.15.14,THB:16:17:20:25.15.14,24:17:14:25.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;3.21,-7.32,;6.26,-7.03,)| Show InChI InChI=1S/C21H28ClNO3/c1-20(2,26-17-5-3-16(22)4-6-17)19(25)23-18-14-7-13-8-15(18)11-21(9-13,10-14)12-24/h3-6,13-15,18,24H,7-12H2,1-2H3,(H,23,25)/t13-,14+,15?,18+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20718 ((1R,2R)-2-({4-[4-({[2-(trifluoromethyl)phenyl]carb...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)22-6-1-2-7-23(22)32-26(36)31-19-14-12-17(13-15-19)16-8-10-18(11-9-16)24(33)20-4-3-5-21(20)25(34)35/h1-2,6-15,20-21H,3-5H2,(H,34,35)(H2,31,32,36)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20724 ((1R,2R)-2-{[4-(4-{[(4-methoxyphenyl)carbamoyl]amin...) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(cc2)C(=O)[C@@H]2CCC[C@H]2C(O)=O)cc1 |r| Show InChI InChI=1S/C27H26N2O5/c1-34-22-15-13-21(14-16-22)29-27(33)28-20-11-9-18(10-12-20)17-5-7-19(8-6-17)25(30)23-3-2-4-24(23)26(31)32/h5-16,23-24H,2-4H2,1H3,(H,31,32)(H2,28,29,33)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20726 ((1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carb...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-10-14-21(15-11-19)32-26(36)31-20-12-8-17(9-13-20)16-4-6-18(7-5-16)24(33)22-2-1-3-23(22)25(34)35/h4-15,22-23H,1-3H2,(H,34,35)(H2,31,32,36)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50174913 (CHEMBL197232 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...) Show SMILES Clc1ccc2n(Cc3ccccn3)nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C26H26ClN5O2/c27-19-5-6-23-22(14-19)26(30-32(23)16-21-3-1-2-10-28-21)29-20-8-11-31(12-9-20)15-18-4-7-24-25(13-18)34-17-33-24/h1-7,10,13-14,20H,8-9,11-12,15-17H2,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human MCHr1 from neuronal IMR32 cells				Bioorg Med Chem Lett 15: 5293-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.049 BindingDB Entry DOI: 10.7270/Q2GQ6X9P
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)c1nnn[nH]1 |r,wU:18.18,20.20,15.15,wD:22.28,TLB:24:22:19:17.16.15,THB:17:18:21:24.16.15,23:18:15:24.21.22,25:22:19:17.16.15,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.76,-6.71,;1.9,-7.99,;.42,-7.57,;.36,-6.03,;1.8,-5.5,)| Show InChI InChI=1S/C21H25ClFN5O2/c1-20(2,30-16-4-3-14(23)7-15(16)22)19(29)24-17-12-5-11-6-13(17)10-21(8-11,9-12)18-25-27-28-26-18/h3-4,7,11-13,17H,5-6,8-10H2,1-2H3,(H,24,29)(H,25,26,27,28)/t11-,12+,13?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20719 ((1R,2R)-2-({4-[4-({[3-(trifluoromethyl)phenyl]carb...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-3-1-4-21(15-19)32-26(36)31-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(33)22-5-2-6-23(22)25(34)35/h1,3-4,7-15,22-23H,2,5-6H2,(H,34,35)(H2,31,32,36)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50185046 ((1-benzo{1,3}dioxol-5-ylmethylpiperidin-4-yl)(6-me...) Show SMILES COc1ccc2nccc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C23H25N3O3/c1-27-18-3-4-20-19(13-18)21(6-9-24-20)25-17-7-10-26(11-8-17)14-16-2-5-22-23(12-16)29-15-28-22/h2-6,9,12-13,17H,7-8,10-11,14-15H2,1H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)c1nnn[nH]1 |r,wU:18.18,20.20,15.15,wD:22.28,TLB:24:22:19:17.16.15,THB:17:18:21:24.16.15,23:18:15:24.21.22,25:22:19:17.16.15,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.76,-6.71,;1.9,-7.99,;.42,-7.57,;.36,-6.03,;1.8,-5.5,)| Show InChI InChI=1S/C21H25ClFN5O2/c1-20(2,30-16-4-3-14(23)7-15(16)22)19(29)24-17-12-5-11-6-13(17)10-21(8-11,9-12)18-25-27-28-26-18/h3-4,7,11-13,17H,5-6,8-10H2,1-2H3,(H,24,29)(H,25,26,27,28)/t11-,12+,13?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13766 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1cncs1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;.32,-10.16,;-1.11,-10.71,;-2.08,-9.52,;-1.25,-8.22,)| Show InChI InChI=1S/C25H30ClN3O3S/c1-24(2,32-19-5-3-18(26)4-6-19)22(30)29-21-16-7-15-8-17(21)11-25(9-15,10-16)23(31)28-13-20-12-27-14-33-20/h3-6,12,14-17,21H,7-11,13H2,1-2H3,(H,28,31)(H,29,30)/t15-,16+,17?,21+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20720 ((1R,2R)-2-{[4-(4-{[(3-fluorophenyl)carbamoyl]amino...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r| Show InChI InChI=1S/C26H23FN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13768 (N-[(1R,2S,5R,7S)-5-[(carbamoylmethyl)carbamoyl]ada...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCC(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;.24,-10.16,)| Show InChI InChI=1S/C23H30ClN3O4/c1-22(2,31-17-5-3-16(24)4-6-17)20(29)27-19-14-7-13-8-15(19)11-23(9-13,10-14)21(30)26-12-18(25)28/h3-6,13-15,19H,7-12H2,1-2H3,(H2,25,28)(H,26,30)(H,27,29)/t13-,14+,15?,19+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13762 (4-({[(1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methyl...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-5.09,-10.16,;-3.76,-12.47,)| Show InChI InChI=1S/C29H33ClN2O5/c1-28(2,37-23-9-7-22(30)8-10-23)26(35)32-24-20-11-18-12-21(24)15-29(13-18,14-20)27(36)31-16-17-3-5-19(6-4-17)25(33)34/h3-10,18,20-21,24H,11-16H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t18-,20+,21?,24+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50167567 (1-(4-Phenoxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl...) Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C26H27N5O2/c32-26(28-21-8-11-24(12-9-21)33-23-6-2-1-3-7-23)29-22-10-13-25-20(18-22)19-27-31(25)17-16-30-14-4-5-15-30/h1-3,6-13,18-19H,4-5,14-17H2,(H2,28,29,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13769 (2-(4-chlorophenoxy)-2-methyl-N-[(1R,2S,5R,7S)-5-{[...) Show SMILES CNC(=O)NC(=O)[C@@]12C[C@@H]3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 |r,wU:9.9,28.30,13.14,wD:7.6,TLB:12:7:29:10.11.13,10:9:30:12.11.13,THB:8:9:13:12.30.7,5:7:29:10.11.13,(-1.09,-7.85,;.24,-8.62,;1.58,-7.85,;2.91,-8.62,;1.58,-6.31,;2.91,-5.54,;2.51,-4.05,;4.24,-6.31,;3.21,-7.32,;4.72,-7.16,;6.94,-7.93,;7.61,-6.76,;6.26,-7.03,;7.61,-5.22,;8.94,-4.45,;10.27,-5.22,;10.27,-6.76,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;6.04,-4.32,;4.72,-5.12,;4.24,-5.07,)| Show InChI InChI=1S/C23H30ClN3O4/c1-22(2,31-17-6-4-16(24)5-7-17)19(28)26-18-14-8-13-9-15(18)12-23(10-13,11-14)20(29)27-21(30)25-3/h4-7,13-15,18H,8-12H2,1-3H3,(H,26,28)(H2,25,27,29,30)/t13-,14+,15?,18+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13767 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccncc1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,)| Show InChI InChI=1S/C27H32ClN3O3/c1-26(2,34-22-5-3-21(28)4-6-22)24(32)31-23-19-11-18-12-20(23)15-27(13-18,14-19)25(33)30-16-17-7-9-29-10-8-17/h3-10,18-20,23H,11-16H2,1-2H3,(H,30,33)(H,31,32)/t18-,19+,20?,23+,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM20726 ((1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carb...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-10-14-21(15-11-19)32-26(36)31-20-12-8-17(9-13-20)16-4-6-18(7-5-16)24(33)22-2-1-3-23(22)25(34)35/h4-15,22-23H,1-3H2,(H,34,35)(H2,31,32,36)/t22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13758 ((1R,3R,4S,7S)-4-[2-(3-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;18.43,-5.6,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H26ClNO4/c1-20(2,27-16-5-3-4-15(22)8-16)18(24)23-17-13-6-12-7-14(17)11-21(9-12,10-13)19(25)26/h3-5,8,12-14,17H,6-7,9-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13762 (4-({[(1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methyl...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-5.09,-10.16,;-3.76,-12.47,)| Show InChI InChI=1S/C29H33ClN2O5/c1-28(2,37-23-9-7-22(30)8-10-23)26(35)32-24-20-11-18-12-21(24)15-29(13-18,14-20)27(36)31-16-17-3-5-19(6-4-17)25(33)34/h3-10,18,20-21,24H,11-16H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t18-,20+,21?,24+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13764 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)-c1nnn[nH]1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-4.23,-12.39,;-5.77,-12.39,;-6.25,-10.93,;-5,-10.03,)| Show InChI InChI=1S/C29H33ClN6O3/c1-28(2,39-23-9-7-22(30)8-10-23)26(37)32-24-20-11-18-12-21(24)15-29(13-18,14-20)27(38)31-16-17-3-5-19(6-4-17)25-33-35-36-34-25/h3-10,18,20-21,24H,11-16H2,1-2H3,(H,31,38)(H,32,37)(H,33,34,35,36)/t18-,20+,21?,24+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.2	22
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM20718 ((1R,2R)-2-({4-[4-({[2-(trifluoromethyl)phenyl]carb...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)22-6-1-2-7-23(22)32-26(36)31-19-14-12-17(13-15-19)16-8-10-18(11-9-16)24(33)20-4-3-5-21(20)25(34)35/h1-2,6-15,20-21H,3-5H2,(H,34,35)(H2,31,32,36)/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50174895 ((1-benzo{1,3}dioxol-5-ylmethyl-piperidin-4-yl)(5-c...) Show SMILES Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1 Show InChI InChI=1S/C20H21ClN4O2/c21-14-2-3-17-16(10-14)20(24-23-17)22-15-5-7-25(8-6-15)11-13-1-4-18-19(9-13)27-12-26-18/h1-4,9-10,15H,5-8,11-12H2,(H2,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells				J Med Chem 49: 2339-52 (2006) Article DOI: 10.1021/jm0512286 BindingDB Entry DOI: 10.7270/Q24F1Q9F
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM20719 ((1R,2R)-2-({4-[4-({[3-(trifluoromethyl)phenyl]carb...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-3-1-4-21(15-19)32-26(36)31-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(33)22-5-2-6-23(22)25(34)35/h1,3-4,7-15,22-23H,2,5-6H2,(H,34,35)(H2,31,32,36)/t22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...				J Med Chem 51: 380-3 (2008) Article DOI: 10.1021/jm7013887 BindingDB Entry DOI: 10.7270/Q2KW5DB6
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM13764 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)-c1nnn[nH]1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-4.23,-12.39,;-5.77,-12.39,;-6.25,-10.93,;-5,-10.03,)| Show InChI InChI=1S/C29H33ClN6O3/c1-28(2,39-23-9-7-22(30)8-10-23)26(37)32-24-20-11-18-12-21(24)15-29(13-18,14-20)27(38)31-16-17-3-5-19(6-4-17)25-33-35-36-34-25/h3-10,18,20-21,24H,11-16H2,1-2H3,(H,31,38)(H,32,37)(H,33,34,35,36)/t18-,20+,21?,24+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...				Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 181 total )  |  Next  |  Last  >>

Jump to: