Compile Data Set for Download or QSAR

Found 682 hits with Last Name = 'cai' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50230827 (CHEMBL253364 | MK-9) Show SMILES N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:15.15,11.70,1.0,wD:55.59,29.31,40.42,(27.17,-1.13,;27.07,-2.65,;28.33,-3.52,;29.72,-2.86,;30.99,-3.74,;30.88,-5.27,;34.1,-3.27,;34.1,-4.94,;32.82,-5.79,;32.91,-7.32,;31.62,-8.17,;31.71,-9.71,;30.43,-10.56,;29.05,-9.87,;28.96,-8.33,;27.77,-10.72,;27.85,-12.26,;29.23,-12.95,;30.52,-12.09,;31.55,-13.24,;31.01,-14.69,;31.57,-16.11,;30.62,-17.3,;29.09,-17.08,;28.54,-15.65,;29.5,-14.45,;26.39,-10.03,;25.1,-10.87,;25.19,-12.41,;23.31,-10.55,;22.46,-11.84,;23.15,-13.22,;22.31,-14.51,;22.98,-15.89,;22.14,-17.18,;22.82,-18.57,;20.6,-17.1,;23.48,-9.02,;22.63,-7.74,;24.03,-7.12,;21.38,-6.85,;19.97,-7.47,;19.82,-9.01,;21.06,-9.91,;20.91,-11.42,;19.5,-12.06,;19.36,-13.58,;17.96,-14.22,;16.7,-13.32,;16.85,-11.79,;18.26,-11.15,;18.41,-9.62,;21.5,-5.31,;22.89,-4.64,;24.16,-5.51,;23.01,-3.11,;21.74,-2.23,;20.35,-2.9,;20.06,-4.41,;18.55,-4.61,;17.87,-3.22,;18.99,-2.17,;24.4,-2.45,;25.68,-3.32,;25.55,-4.85,;33.09,-10.4,;33.18,-11.94,;34.38,-9.55,)| Show InChI InChI=1S/C47H60N14O7/c48-33-16-17-40(62)53-18-6-5-12-35(41(49)63)57-45(67)38(22-30-24-55-34-11-4-3-10-32(30)34)61-43(65)36(13-7-19-54-47(50)51)58-44(66)37(21-27-14-15-28-8-1-2-9-29(28)20-27)60-46(68)39(59-42(33)64)23-31-25-52-26-56-31/h1-4,8-11,14-15,20,24-26,33,35-39,55H,5-7,12-13,16-19,21-23,48H2,(H2,49,63)(H,52,56)(H,53,62)(H,57,67)(H,58,66)(H,59,64)(H,60,68)(H,61,65)(H4,50,51,54)/t33-,35-,36-,37-,38+,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50469009 (CHEMBL4292766) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)25-19-23(20-26(29(25)36)31(4,5)6)11-12-28(35)33-16-13-22-14-17-34(18-15-22)21-24-9-7-8-10-27(24)32/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50193833 (CHEMBL220018 | N-[(S)-1-((3S,8aS)-3-benzyl-hexahyd...) Show SMILES NC(N)=NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 |wU:7.7,32.36,26.32,(10.03,-44.77,;8.72,-43.97,;7.37,-44.71,;8.75,-42.43,;7.43,-41.63,;7.46,-40.09,;6.15,-39.29,;6.18,-37.75,;7.51,-36.98,;8.84,-37.75,;8.85,-39.29,;10.18,-36.98,;11.51,-37.74,;12.84,-36.97,;13,-35.46,;14.5,-35.13,;15.28,-36.46,;16.77,-36.78,;17.25,-38.23,;16.22,-39.38,;14.72,-39.06,;14.25,-37.6,;4.88,-36.93,;4.85,-35.42,;3.51,-37.64,;2.21,-36.81,;.85,-37.54,;-.6,-37,;-1.56,-38.23,;-.68,-39.48,;.79,-39.07,;2.09,-39.88,;3.57,-39.24,;4.87,-40.06,;4.89,-41.6,;3.56,-42.38,;3.58,-43.92,;4.93,-44.67,;6.26,-43.87,;6.23,-42.34,)| Show InChI InChI=1S/C31H41N7O2/c32-31(33)34-16-6-13-28(36-29(39)15-14-23-19-35-27-12-5-4-11-26(23)27)30(40)38-21-24-10-7-17-37(24)20-25(38)18-22-8-2-1-3-9-22/h1-5,8-9,11-12,19,24-25,28,35H,6-7,10,13-18,20-21H2,(H,36,39)(H4,32,33,34)/t24-,25-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50193834 (CHEMBL218361 | N-(2-(1H-indol-3-yl)ethyl)-4-((3S,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50193830 (1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...) Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50409078 (CHEMBL325761) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12 Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50193836 (1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...) Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50193832 (1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...) Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50193836 (1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...) Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50199097 (CHEMBL3911291) Show SMILES CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O Show InChI InChI=1S/C15H13ClO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fl...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50121268 (21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...) Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50193835 (1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...) Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting				Bioorg Med Chem Lett 21: 3099-102 (2011) Article DOI: 10.1016/j.bmcl.2011.03.019 BindingDB Entry DOI: 10.7270/Q2BC3ZVF
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting				Bioorg Med Chem Lett 21: 3099-102 (2011) Article DOI: 10.1016/j.bmcl.2011.03.019 BindingDB Entry DOI: 10.7270/Q2BC3ZVF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50199101 (CHEMBL3920226) Show SMILES CC(=O)c1ccc(OCc2cccc(F)c2)cc1O Show InChI InChI=1S/C15H13FO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fl...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50199094 (CHEMBL3948027) Show SMILES CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O Show InChI InChI=1S/C15H13FO3/c1-10(17)14-7-6-13(8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,18H,9H2,1H3	PDB 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fl...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50282510 (7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50121268 (21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...) Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50193832 (1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...) Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22+/m0/s1	PDB 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
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting				Bioorg Med Chem Lett 21: 3099-102 (2011) Article DOI: 10.1016/j.bmcl.2011.03.019 BindingDB Entry DOI: 10.7270/Q2BC3ZVF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50409078 (CHEMBL325761) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12 Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50193836 (1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...) Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1	PDB 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
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50199103 (CHEMBL3938837) Show SMILES FC(F)(F)c1ccc(COc2ccc3C(=O)OCc3c2)cc1 Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-3-1-10(2-4-12)8-21-13-5-6-14-11(7-13)9-22-15(14)20/h1-7H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50282510 (7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50017427 (CHEMBL3288295) Show SMILES Clc1ccc(COc2ccc3C(=O)CCCc3c2)cc1 Show InChI InChI=1S/C17H15ClO2/c18-14-6-4-12(5-7-14)11-20-15-8-9-16-13(10-15)2-1-3-17(16)19/h4-10H,1-3,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC5 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM10989 ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50184359 ((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting				Bioorg Med Chem Lett 21: 3099-102 (2011) Article DOI: 10.1016/j.bmcl.2011.03.019 BindingDB Entry DOI: 10.7270/Q2BC3ZVF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM92663 (C7-substituted chromone derivative, 3n) Show SMILES FC(F)(F)c1ccc(COc2ccc3c(c2)occc3=O)cc1 Show InChI InChI=1S/C17H11F3O3/c18-17(19,20)12-3-1-11(2-4-12)10-23-13-5-6-14-15(21)7-8-22-16(14)9-13/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in insect cell microsomes using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline pr...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50199104 (CHEMBL2430707) Show SMILES Brc1cccc(COc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C16H14BrNO2/c17-13-3-1-2-11(8-13)10-20-14-6-4-12-5-7-16(19)18-15(12)9-14/h1-4,6,8-9H,5,7,10H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin)				Eur J Med Chem 138: 715-728 (2017) Article DOI: 10.1016/j.ejmech.2017.07.008 BindingDB Entry DOI: 10.7270/Q2S46VKC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50199106 (CHEMBL3929816) Show SMILES Fc1ccc(COc2ccc3C(=O)OCc3c2)cc1 Show InChI InChI=1S/C15H11FO3/c16-12-3-1-10(2-4-12)8-18-13-5-6-14-11(7-13)9-19-15(14)17/h1-7H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50230824 (CHEMBL398665 | c[CO-(CH2)3-CO-Pro-D-Nal(2)-Arg-Trp...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C52H63N11O7/c53-46(65)40-18-7-8-24-56-25-10-21-45(64)37-15-3-4-16-38(37)51(70)63-27-11-20-44(63)50(69)62-42(29-32-22-23-33-12-1-2-13-34(33)28-32)48(67)60-41(19-9-26-57-52(54)55)47(66)61-43(49(68)59-40)30-35-31-58-39-17-6-5-14-36(35)39/h1-6,12-17,22-23,28,31,40-44,56,58H,7-11,18-21,24-27,29-30H2,(H2,53,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H4,54,55,57)/t40-,41-,42+,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50199095 (CHEMBL3771110) Show SMILES CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C15H13ClO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin)				Eur J Med Chem 138: 715-728 (2017) Article DOI: 10.1016/j.ejmech.2017.07.008 BindingDB Entry DOI: 10.7270/Q2S46VKC
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50230816 (CHEMBL267265 | c[CO-(CH2)2-CO-Nle-D-Nal(2)-Arg-Trp...) Show SMILES N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |wU:17.65,35.37,21.21,wD:1.0,46.48,(-9.09,-7.87,;-7.76,-7.1,;-6.44,-7.87,;-6.44,-9.41,;-7.76,-10.17,;-7.76,-11.71,;-6.44,-12.48,;-5.11,-11.71,;-6.44,-14.01,;-5.11,-14.78,;-3.77,-14.01,;-3.77,-12.48,;.25,-14.81,;1.58,-14.04,;1.58,-12.5,;.25,-11.73,;.25,-10.19,;-1.08,-9.43,;-1.08,-7.89,;.26,-7.11,;1.6,-7.89,;.26,-5.56,;1.6,-4.79,;2.93,-5.56,;3.11,-7.09,;4.62,-7.41,;5.38,-6.08,;6.89,-5.76,;7.37,-4.3,;6.34,-3.16,;4.84,-3.48,;4.35,-4.93,;-1.08,-4.79,;-1.08,-3.25,;.26,-2.47,;-2.41,-2.47,;-2.41,-.93,;-1.08,-.16,;-1.08,1.39,;.26,2.17,;.26,3.71,;1.6,4.47,;-1.08,4.47,;-3.75,-3.25,;-5.1,-2.47,;-5.1,-.93,;-6.44,-3.25,;-7.76,-2.47,;-7.76,-.93,;-6.43,-.16,;-6.43,1.38,;-7.75,2.16,;-7.77,3.72,;-9.14,4.48,;-10.49,3.68,;-10.47,2.12,;-9.1,1.35,;-9.1,-.17,;-6.44,-4.79,;-7.76,-5.56,;-9.09,-4.79,;-2.4,-10.19,;-2.4,-11.73,;-3.74,-9.43,)| Show InChI InChI=1S/C46H61N11O7/c47-34-14-5-3-12-32(58)20-21-40(59)51-22-8-7-16-36(41(48)60)54-45(64)39(26-31-27-53-35-15-6-4-13-33(31)35)57-43(62)37(17-9-23-52-46(49)50)55-44(63)38(56-42(34)61)25-28-18-19-29-10-1-2-11-30(29)24-28/h1-2,4,6,10-11,13,15,18-19,24,27,34,36-39,53H,3,5,7-9,12,14,16-17,20-23,25-26,47H2,(H2,48,60)(H,51,59)(H,54,64)(H,55,63)(H,56,61)(H,57,62)(H4,49,50,52)/t34-,36-,37-,38+,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair

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