Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50392492'   

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
KiSS-1 receptor (Homo sapiens (Human))	BDBM50392492 (CHEMBL2152062) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:59.62,37.50,23.26,72.75,wD:51.58,29.34,12.20,4.4,82.85,(21.35,-5.83,;21.35,-4.29,;22.67,-3.52,;20.01,-3.52,;20.01,-1.98,;18.68,-1.21,;17.35,-1.98,;17.35,-3.52,;16.01,-1.21,;14.68,-1.98,;13.34,-1.21,;13.34,.33,;12.01,-1.98,;12.01,-3.52,;13.34,-4.29,;14.68,-3.52,;16.02,-4.29,;16.02,-5.83,;14.68,-6.6,;13.34,-5.83,;10.67,-1.21,;9.35,-1.98,;9.35,-3.52,;8,-1.21,;8,.33,;9.35,1.1,;6.67,-1.98,;5.34,-1.21,;5.34,.33,;4,-1.98,;4,-3.52,;5.34,-4.29,;6.67,-3.52,;5.34,-5.83,;2.67,-1.21,;1.34,-1.98,;1.34,-3.52,;-.01,-1.21,;-.01,.33,;1.34,1.1,;2.74,.48,;3.77,1.62,;3,2.96,;3.48,4.42,;2.46,5.57,;.94,5.24,;.47,3.78,;1.5,2.64,;-1.33,-1.98,;-2.67,-1.21,;-2.67,.33,;-4,-1.98,;-4,-3.52,;-2.67,-4.29,;-1.33,-3.52,;-2.67,-5.83,;-5.33,-1.21,;-6.67,-1.98,;-6.67,-3.52,;-8.01,-1.21,;-9.34,-1.98,;-8.01,.33,;-6.67,1.1,;-5.33,.33,;-4,1.1,;-4,2.64,;-2.67,3.41,;-5.33,3.41,;-6.67,2.64,;21.35,-1.21,;21.35,.33,;22.67,-1.98,;24.02,-1.21,;24.02,.34,;25.36,1.12,;25.36,2.66,;26.7,3.44,;26.71,4.99,;28.04,2.66,;25.35,-1.98,;25.35,-3.52,;26.68,-1.21,;28.02,-1.98,;28.02,-3.52,;29.35,-4.29,;30.69,-3.52,;32.03,-4.29,;32.03,-5.83,;30.68,-6.6,;29.35,-5.83,;29.35,-1.21,;30.68,-1.98,;29.35,.33,)| Show InChI InChI=1S/C62H81N17O14/c1-33(2)23-44(57(89)73-42(21-22-69-62(67)68)56(88)74-43(53(66)85)25-34-11-5-3-6-12-34)72-52(84)31-71-55(87)45(26-35-13-7-4-8-14-35)76-61(93)49(32-80)79-60(92)48(29-51(65)83)78-58(90)46(27-37-30-70-41-16-10-9-15-39(37)41)77-59(91)47(28-50(64)82)75-54(86)40(63)24-36-17-19-38(81)20-18-36/h3-20,30,33,40,42-49,70,80-81H,21-29,31-32,63H2,1-2H3,(H2,64,82)(H2,65,83)(H2,66,85)(H,71,87)(H,72,84)(H,73,89)(H,74,88)(H,75,86)(H,76,93)(H,77,91)(H,78,90)(H,79,92)(H4,67,68,69)/t40-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay				Bioorg Med Chem Lett 22: 6328-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.087 BindingDB Entry DOI: 10.7270/Q22F7PJT
					More data for this Ligand-Target Pair