Compile Data Set for Download or QSAR

Found 5673 hits with Last Name = 'bai' and Initial = 'm'   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50459923 (CHEMBL4228464) Show SMILES [H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to human NET				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50021897 (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...) Show SMILES C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to SERT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258794 (US9499482, 213) Show SMILES COc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:20| Show InChI InChI=1S/C29H30N2O4/c1-33-28-21-24(11-14-26(28)34-20-19-30-16-5-6-17-30)31-18-15-27(29(31)32)35-25-12-9-23(10-13-25)22-7-3-2-4-8-22/h2-4,7-15,21H,5-6,16-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258797 (US9499482, 216) Show SMILES COc1cc(ccc1OCCN1CCCCC1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:21| Show InChI InChI=1S/C30H32N2O4/c1-34-29-22-25(12-15-27(29)35-21-20-31-17-6-3-7-18-31)32-19-16-28(30(32)33)36-26-13-10-24(11-14-26)23-8-4-2-5-9-23/h2,4-5,8-16,22H,3,6-7,17-21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258795 (US9499482, 214) Show SMILES COc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |r,t:22| Show InChI InChI=1S/C30H32N2O5/c1-35-29-20-24(11-14-27(29)36-19-18-31-16-5-8-25(31)21-33)32-17-15-28(30(32)34)37-26-12-9-23(10-13-26)22-6-3-2-4-7-22/h2-4,6-7,9-15,20,25,33H,5,8,16-19,21H2,1H3/t25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258763 (US9499482, 163) Show SMILES COc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:27| Show InChI InChI=1S/C30H37N3O6/c1-30(2,3)39-29(35)31-22-18-32(19-22)15-16-37-25-12-9-23(17-27(25)36-4)33-14-13-26(28(33)34)38-24-10-7-21(8-11-24)20-5-6-20/h7-13,17,20,22H,5-6,14-16,18-19H2,1-4H3,(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258767 (US9499482, 167) Show SMILES CCc1cc(ccc1OCCN1CC(O)(C1)C1CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:24| Show InChI InChI=1S/C29H34N2O4/c1-2-20-17-24(9-12-26(20)34-16-15-30-18-29(33,19-30)23-7-8-23)31-14-13-27(28(31)32)35-25-10-5-22(6-11-25)21-3-4-21/h5-6,9-13,17,21,23,33H,2-4,7-8,14-16,18-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258766 (US9499482, 166) Show SMILES CCc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:25| Show InChI InChI=1S/C30H36N2O4/c1-2-22-19-25(7-10-27(22)35-18-17-31-15-12-30(13-16-31)20-34-21-30)32-14-11-28(29(32)33)36-26-8-5-24(6-9-26)23-3-4-23/h5-11,19,23H,2-4,12-18,20-21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258758 (US9499482, 157) Show SMILES COc1cc(ccc1OCCN1CC(O)(C1)C1CC1)N1CCC(Oc2ccc(cc2)C2CC2)C1=O Show InChI InChI=1S/C28H34N2O5/c1-33-26-16-22(8-11-24(26)34-15-14-29-17-28(32,18-29)21-6-7-21)30-13-12-25(27(30)31)35-23-9-4-20(5-10-23)19-2-3-19/h4-5,8-11,16,19,21,25,32H,2-3,6-7,12-15,17-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258817 (US9499482, 252) Show SMILES O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc2n(CCN3CCCC3)ncc2c1 |c:4| Show InChI InChI=1S/C26H28N4O2/c31-26-25(32-23-8-5-20(6-9-23)19-3-4-19)11-14-29(26)22-7-10-24-21(17-22)18-27-30(24)16-15-28-12-1-2-13-28/h5-11,17-19H,1-4,12-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258754 (US9499482, 153) Show SMILES COc1cc(ccc1OCCN1CC[C@H](C1)NC(=O)C(F)(F)F)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:27| Show InChI InChI=1S/C28H30F3N3O5/c1-37-25-16-21(34-13-11-24(26(34)35)39-22-7-4-19(5-8-22)18-2-3-18)6-9-23(25)38-15-14-33-12-10-20(17-33)32-27(36)28(29,30)31/h4-9,11,16,18,20H,2-3,10,12-15,17H2,1H3,(H,32,36)/t20-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258778 (US9499482, 184) Show SMILES FC(F)Oc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22| Show InChI InChI=1S/C26H28F2N2O4/c27-26(28)34-24-17-20(7-10-22(24)32-16-15-29-12-1-2-13-29)30-14-11-23(25(30)31)33-21-8-5-19(6-9-21)18-3-4-18/h5-11,17-18,26H,1-4,12-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.				J Med Chem 36: 3073-6 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T2N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova Inc. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 from rat corpus striatum by using radioligand [3H]-sulpiride				J Med Chem 36: 1488-95 (1993) BindingDB Entry DOI: 10.7270/Q2KD1X0K
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258769 (US9499482, 169) Show SMILES CCc1cc(ccc1OCCN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21| Show InChI InChI=1S/C27H32N2O4/c1-3-19-16-22(8-11-24(19)32-15-14-28-17-27(2,31)18-28)29-13-12-25(26(29)30)33-23-9-6-21(7-10-23)20-4-5-20/h6-12,16,20,31H,3-5,13-15,17-18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258715 (US9499482, 114) Show SMILES Clc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C28H29ClN2O3/c29-25-20-23(10-13-26(25)33-19-18-30-15-4-5-16-30)31-17-14-27(28(31)32)34-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-13,20,27H,4-5,14-19H2/t27-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258713 (US9499482, 112) Show SMILES Cc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C29H32N2O3/c1-22-21-25(11-14-27(22)33-20-19-30-16-5-6-17-30)31-18-15-28(29(31)32)34-26-12-9-24(10-13-26)23-7-3-2-4-8-23/h2-4,7-14,21,28H,5-6,15-20H2,1H3/t28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258762 (US9499482, 161) Show SMILES COc1cc(ccc1OCCN1CC(C)(C1)OC)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22| Show InChI InChI=1S/C27H32N2O5/c1-27(32-3)17-28(18-27)14-15-33-23-11-8-21(16-25(23)31-2)29-13-12-24(26(29)30)34-22-9-6-20(7-10-22)19-4-5-19/h6-12,16,19H,4-5,13-15,17-18H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258711 (US9499482, 110) Show SMILES CCc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C30H34N2O3/c1-2-23-22-26(12-15-28(23)34-21-20-31-17-6-7-18-31)32-19-16-29(30(32)33)35-27-13-10-25(11-14-27)24-8-4-3-5-9-24/h3-5,8-15,22,29H,2,6-7,16-21H2,1H3/t29-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258764 (US9499482, 164) Show SMILES CCc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20| Show InChI InChI=1S/C27H32N2O3/c1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21/h7-13,19,21H,2-6,14-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258709 (US9499482, 108) Show SMILES COc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C29H32N2O4/c1-33-28-21-24(11-14-26(28)34-20-19-30-16-5-6-17-30)31-18-15-27(29(31)32)35-25-12-9-23(10-13-25)22-7-3-2-4-8-22/h2-4,7-14,21,27H,5-6,15-20H2,1H3/t27-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258793 (US9499482, 212) Show SMILES COc1cc(ccc1OCCN1CC(O)C1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:20| Show InChI InChI=1S/C28H28N2O5/c1-33-27-17-22(9-12-25(27)34-16-15-29-18-23(31)19-29)30-14-13-26(28(30)32)35-24-10-7-21(8-11-24)20-5-3-2-4-6-20/h2-13,17,23,31H,14-16,18-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258755 (US9499482, 154) Show SMILES COc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:25| Show InChI InChI=1S/C29H34N2O5/c1-33-27-18-23(6-9-25(27)35-17-16-30-14-11-29(12-15-30)19-34-20-29)31-13-10-26(28(31)32)36-24-7-4-22(5-8-24)21-2-3-21/h4-10,18,21H,2-3,11-17,19-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258752 (US9499482, 151) Show SMILES COc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:22| Show InChI InChI=1S/C27H32N2O5/c1-32-26-17-21(8-11-24(26)33-16-15-28-13-2-3-22(28)18-30)29-14-12-25(27(29)31)34-23-9-6-20(7-10-23)19-4-5-19/h6-12,17,19,22,30H,2-5,13-16,18H2,1H3/t22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258756 (US9499482, 155) Show SMILES COC1CN(CCOc2ccc(cc2OC)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:19| Show InChI InChI=1S/C26H30N2O5/c1-30-22-16-27(17-22)13-14-32-23-10-7-20(15-25(23)31-2)28-12-11-24(26(28)29)33-21-8-5-19(6-9-21)18-3-4-18/h5-11,15,18,22H,3-4,12-14,16-17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258747 (US9499482, 146) Show SMILES COc1cc(ccc1OCCN1CC[C@@H](F)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21| Show InChI InChI=1S/C26H29FN2O4/c1-31-25-16-21(6-9-23(25)32-15-14-28-12-10-20(27)17-28)29-13-11-24(26(29)30)33-22-7-4-19(5-8-22)18-2-3-18/h4-9,11,16,18,20H,2-3,10,12-15,17H2,1H3/t20-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258825 (US9499482, 260) Show SMILES OC[C@H]1CCCN1CCn1ncc2cc(ccc12)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:23| Show InChI InChI=1S/C27H30N4O3/c32-18-23-2-1-12-29(23)14-15-31-25-10-7-22(16-21(25)17-28-31)30-13-11-26(27(30)33)34-24-8-5-20(6-9-24)19-3-4-19/h5-11,16-17,19,23,32H,1-4,12-15,18H2/t23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258787 (US9499482, 205) Show SMILES O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc(OCCN2CCCC2)c(c1)C1CC1 |c:4| Show InChI InChI=1S/C28H32N2O3/c31-28-27(33-24-10-7-21(8-11-24)20-3-4-20)13-16-30(28)23-9-12-26(25(19-23)22-5-6-22)32-18-17-29-14-1-2-15-29/h7-13,19-20,22H,1-6,14-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258786 (US9499482, 193) Show SMILES CC1(O)CN(CCOc2ccc(cc2Br)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:18| Show InChI InChI=1S/C25H27BrN2O4/c1-25(30)15-27(16-25)12-13-31-22-9-6-19(14-21(22)26)28-11-10-23(24(28)29)32-20-7-4-18(5-8-20)17-2-3-17/h4-10,14,17,30H,2-3,11-13,15-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258784 (US9499482, 190) Show SMILES CC1(O)CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:21| Show InChI InChI=1S/C26H28F2N2O5/c1-26(32)15-29(16-26)12-13-33-21-9-6-19(14-23(21)35-25(27)28)30-11-10-22(24(30)31)34-20-7-4-18(5-8-20)17-2-3-17/h4-10,14,17,25,32H,2-3,11-13,15-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258783 (US9499482, 189) Show SMILES COC1CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:21| Show InChI InChI=1S/C26H28F2N2O5/c1-32-21-15-29(16-21)12-13-33-22-9-6-19(14-24(22)35-26(27)28)30-11-10-23(25(30)31)34-20-7-4-18(5-8-20)17-2-3-17/h4-10,14,17,21,26H,2-3,11-13,15-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258779 (US9499482, 185) Show SMILES OC1CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:20| Show InChI InChI=1S/C25H26F2N2O5/c26-25(27)34-23-13-18(5-8-21(23)32-12-11-28-14-19(30)15-28)29-10-9-22(24(29)31)33-20-6-3-17(4-7-20)16-1-2-16/h3-9,13,16,19,25,30H,1-2,10-12,14-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258771 (US9499482, 171) Show SMILES CCc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:27| Show InChI InChI=1S/C31H39N3O5/c1-5-21-18-25(34-15-14-28(29(34)35)38-26-11-8-23(9-12-26)22-6-7-22)10-13-27(21)37-17-16-33-19-24(20-33)32-30(36)39-31(2,3)4/h8-14,18,22,24H,5-7,15-17,19-20H2,1-4H3,(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.				J Med Chem 36: 3073-6 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T2N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50459926 (CHEMBL4224830) Show SMILES Clc1ccc(cc1Cl)C1CCNCC11CCOCC1 Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50459926 (CHEMBL4224830) Show SMILES Clc1ccc(cc1Cl)C1CCNCC11CCOCC1 Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258798 (US9499482, 217) Show SMILES COc1cc(ccc1OCCN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:21| Show InChI InChI=1S/C29H30N2O5/c1-29(33)19-30(20-29)16-17-35-25-13-10-23(18-27(25)34-2)31-15-14-26(28(31)32)36-24-11-8-22(9-12-24)21-6-4-3-5-7-21/h3-14,18,33H,15-17,19-20H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258751 (US9499482, 150) Show SMILES COc1cc(ccc1OCCN1CCC[C@@H]1CO)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:22| Show InChI InChI=1S/C27H32N2O5/c1-32-26-17-21(8-11-24(26)33-16-15-28-13-2-3-22(28)18-30)29-14-12-25(27(29)31)34-23-9-6-20(7-10-23)19-4-5-19/h6-12,17,19,22,30H,2-5,13-16,18H2,1H3/t22-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258800 (US9499482, 219) Show SMILES COC1CN(CCOc2ccc(cc2OC)N2CC=C(Oc3ccc(cc3)-c3ccccc3)C2=O)C1 |t:19| Show InChI InChI=1S/C29H30N2O5/c1-33-25-19-30(20-25)16-17-35-26-13-10-23(18-28(26)34-2)31-15-14-27(29(31)32)36-24-11-8-22(9-12-24)21-6-4-3-5-7-21/h3-14,18,25H,15-17,19-20H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258743 (US9499482, 142) Show SMILES COc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20| Show InChI InChI=1S/C26H30N2O4/c1-30-25-18-21(8-11-23(25)31-17-16-27-13-2-3-14-27)28-15-12-24(26(28)29)32-22-9-6-20(7-10-22)19-4-5-19/h6-12,18-19H,2-5,13-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258765 (US9499482, 165) Show SMILES CCc1cc(ccc1OCCN1CC(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20| Show InChI InChI=1S/C26H30N2O4/c1-2-18-15-21(7-10-24(18)31-14-13-27-16-22(29)17-27)28-12-11-25(26(28)30)32-23-8-5-20(6-9-23)19-3-4-19/h5-11,15,19,22,29H,2-4,12-14,16-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258831 (US9499482, 266) Show SMILES O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc2n(CCN3CC=CC3)ncc2c1 |c:4,28| Show InChI InChI=1S/C26H26N4O2/c31-26-25(32-23-8-5-20(6-9-23)19-3-4-19)11-14-29(26)22-7-10-24-21(17-22)18-27-30(24)16-15-28-12-1-2-13-28/h1-2,5-11,17-19H,3-4,12-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258799 (US9499482, 218) Show SMILES COc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:27| Show InChI InChI=1S/C33H37N3O6/c1-33(2,3)42-32(38)34-25-21-35(22-25)18-19-40-28-15-12-26(20-30(28)39-4)36-17-16-29(31(36)37)41-27-13-10-24(11-14-27)23-8-6-5-7-9-23/h5-16,20,25H,17-19,21-22H2,1-4H3,(H,34,38)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258757 (US9499482, 156) Show SMILES COc1cc(ccc1OCCN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21| Show InChI InChI=1S/C26H30N2O5/c1-26(30)16-27(17-26)13-14-32-22-10-7-20(15-24(22)31-2)28-12-11-23(25(28)29)33-21-8-5-19(6-9-21)18-3-4-18/h5-11,15,18,30H,3-4,12-14,16-17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258776 (US9499482, 176) Show SMILES CCc1cc(ccc1OCCN1CCC[C@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:22| Show InChI InChI=1S/C28H34N2O4/c1-2-20-18-23(9-12-26(20)33-17-16-29-14-3-4-24(31)19-29)30-15-13-27(28(30)32)34-25-10-7-22(8-11-25)21-5-6-21/h7-13,18,21,24,31H,2-6,14-17,19H2,1H3/t24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036649 ((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...) Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1 |TLB:9:10:15.16.17:13.12,THB:25:15:10:13.12,18:16:10:13.12| Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.				J Med Chem 36: 3073-6 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T2N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036649 ((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...) Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1 |TLB:9:10:15.16.17:13.12,THB:25:15:10:13.12,18:16:10:13.12| Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.				J Med Chem 36: 3073-6 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T2N
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258693 (US9499482, 92) Show SMILES Clc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r| Show InChI InChI=1S/C25H29ClN2O3/c26-22-17-20(7-10-23(22)30-16-15-27-12-1-2-13-27)28-14-11-24(25(28)29)31-21-8-5-19(6-9-21)18-3-4-18/h5-10,17-18,24H,1-4,11-16H2/t24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258673 (US9499482, 72) Show SMILES Cc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r| Show InChI InChI=1S/C27H34N2O4/c1-19-17-22(8-11-25(19)32-16-15-28-13-2-3-23(28)18-30)29-14-12-26(27(29)31)33-24-9-6-21(7-10-24)20-4-5-20/h6-11,17,20,23,26,30H,2-5,12-16,18H2,1H3/t23-,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
					More data for this Ligand-Target Pair

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