Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50389770'   

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))	BDBM50389770 (CHEMBL2070242) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)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](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:33.36,24.30,47.47,97.106,86.89,75.78,57.110,wD:14.21,8.10,4.4,61.62,99.103,(4.15,-11.82,;4.94,-10.5,;4.19,-9.15,;4.99,-7.83,;4.23,-6.48,;2.7,-6.46,;1.96,-5.12,;2.74,-3.8,;.41,-5.09,;-.38,-6.41,;-1.92,-6.38,;-.34,-3.74,;.46,-2.42,;2,-2.45,;-.29,-1.08,;-1.83,-1.06,;-2.62,-2.37,;-2.02,-3.79,;-3.18,-4.8,;-4.5,-4.01,;-4.16,-2.52,;.5,.24,;-.25,1.59,;-1.79,1.61,;.54,2.9,;2.08,2.88,;2.87,4.2,;4.41,4.17,;5.16,2.83,;5.2,5.49,;-.21,4.25,;.58,5.57,;2.12,5.55,;-.16,6.91,;.63,8.24,;2.16,8.22,;-1.7,6.94,;-2.45,8.29,;-1.66,9.61,;-3.99,8.32,;-4.74,9.67,;-3.94,10.99,;-4.69,12.33,;-2.4,10.95,;5.03,-5.17,;4.28,-3.82,;6.57,-5.19,;7.36,-3.88,;6.78,-2.45,;7.83,-.82,;7.81,7.48,;6.72,8.58,;29.78,7.54,;29.75,2.34,;28.41,1.59,;28.38,.05,;27.04,-.7,;27.02,-2.24,;25.67,-2.98,;24.35,-2.19,;24.37,-.66,;23.01,-2.95,;22.98,-4.49,;24.3,-5.27,;25.72,-4.67,;26.73,-5.83,;25.94,-7.15,;26.4,-8.62,;25.35,-9.75,;23.85,-9.41,;23.4,-7.94,;24.44,-6.81,;21.68,-2.16,;20.34,-2.91,;20.32,-4.45,;19.02,-2.12,;19.04,-.58,;20.38,.17,;20.41,1.71,;21.75,2.46,;21.77,3.99,;20.45,4.78,;23.12,4.75,;17.68,-2.87,;16.35,-2.09,;16.38,-.54,;15.01,-2.83,;14.99,-4.37,;16.31,-5.16,;17.65,-4.41,;18.97,-5.2,;18.95,-6.73,;17.61,-7.48,;16.29,-6.7,;13.69,-2.04,;12.35,-2.79,;12.32,-4.33,;11.03,-2,;11.13,-.45,;9.49,-.1,;8.81,1.43,;8.64,-1.54,;9.75,-2.81,;8.89,-4.09,;9.55,-5.47,;28.34,-3.03,;29.68,-2.28,;28.31,-4.56,)| Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin				J Med Chem 55: 1969-77 (2012) Article DOI: 10.1021/jm201489a BindingDB Entry DOI: 10.7270/Q2DN464P
					More data for this Ligand-Target Pair