Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50392490'   

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))	BDBM50392490 (CHEMBL2152060) 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](CCCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:59.62,37.50,23.26,72.75,wD:51.58,29.34,12.20,4.4,84.87,(21,-27.74,;21,-26.2,;22.32,-25.43,;19.66,-25.43,;19.66,-23.89,;18.33,-23.12,;17,-23.89,;17,-25.43,;15.66,-23.12,;14.34,-23.89,;13,-23.12,;13,-21.58,;11.67,-23.89,;11.67,-25.43,;13,-26.2,;14.34,-25.43,;15.67,-26.2,;15.67,-27.74,;14.34,-28.51,;13,-27.73,;10.33,-23.12,;9.01,-23.89,;9.01,-25.43,;7.67,-23.12,;7.67,-21.58,;9.01,-20.82,;6.33,-23.89,;5,-23.12,;5,-21.58,;3.67,-23.89,;3.67,-25.43,;5,-26.2,;6.33,-25.43,;5,-27.74,;2.34,-23.12,;1,-23.89,;1,-25.43,;-.34,-23.12,;-.34,-21.58,;1,-20.82,;2.41,-21.44,;3.43,-20.29,;2.67,-18.96,;3.14,-17.5,;2.12,-16.35,;.61,-16.68,;.13,-18.14,;1.16,-19.28,;-1.66,-23.89,;-3,-23.12,;-3,-21.58,;-4.33,-23.89,;-4.33,-25.43,;-3,-26.2,;-1.66,-25.43,;-3,-27.74,;-5.66,-23.12,;-7,-23.89,;-7,-25.43,;-8.33,-23.12,;-9.66,-23.89,;-8.33,-21.58,;-7,-20.82,;-5.66,-21.58,;-4.33,-20.81,;-4.33,-19.28,;-3,-18.5,;-5.66,-18.51,;-7,-19.28,;21,-23.12,;21,-21.58,;22.32,-23.89,;23.66,-23.12,;23.67,-21.57,;25.01,-20.8,;25.01,-19.25,;26.35,-18.48,;26.35,-16.93,;27.7,-16.16,;27.7,-14.61,;29.03,-16.93,;25,-23.89,;25,-25.43,;26.33,-23.12,;27.66,-23.89,;27.66,-25.43,;28.99,-26.2,;30.33,-25.43,;31.67,-26.2,;31.67,-27.74,;30.33,-28.51,;28.99,-27.73,;28.99,-23.12,;30.33,-23.89,;28.99,-21.58,)| Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)75-44(19-11-12-24-71-64(69)70)58(90)76-45(55(68)87)27-36-13-5-3-6-14-36)74-54(86)33-73-57(89)47(28-37-15-7-4-8-16-37)78-63(95)51(34-82)81-62(94)50(31-53(67)85)80-60(92)48(29-39-32-72-43-18-10-9-17-41(39)43)79-61(93)49(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h3-10,13-18,20-23,32,35,42,44-51,72,82-83H,11-12,19,24-31,33-34,65H2,1-2H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,89)(H,74,86)(H,75,91)(H,76,90)(H,77,88)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H4,69,70,71)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/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	0.0290	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