Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50216078'   

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))	BDBM50216078 ((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(8.92,-39.59,;8.92,-41.13,;10.25,-41.91,;7.59,-41.91,;7.59,-43.45,;6.25,-44.21,;4.92,-43.44,;4.92,-41.89,;3.58,-44.21,;2.25,-43.45,;.91,-44.21,;.91,-45.76,;-.42,-43.45,;-.42,-41.91,;.91,-41.13,;2.24,-41.9,;3.58,-41.13,;3.57,-39.59,;2.24,-38.82,;.9,-39.59,;-1.75,-44.22,;-3.09,-43.44,;-4.42,-44.21,;-3.09,-41.91,;-1.75,-41.15,;-1.75,-39.62,;-3.08,-38.84,;-3.08,-37.31,;-4.42,-39.62,;-4.41,-41.15,;8.92,-44.21,;8.92,-45.75,;10.25,-43.44,;11.59,-44.2,;11.59,-45.74,;12.93,-46.51,;12.93,-48.05,;14.26,-48.82,;14.26,-50.36,;12.93,-51.13,;15.6,-51.14,;12.93,-43.43,;12.93,-41.88,;14.26,-44.2,;15.59,-43.43,;15.59,-41.89,;16.92,-41.12,;18.32,-41.74,;19.35,-40.6,;18.59,-39.26,;19.06,-37.79,;18.02,-36.65,;16.52,-36.97,;16.04,-38.44,;17.08,-39.58,;16.92,-44.2,;18.25,-43.43,;16.92,-45.74,)| Show InChI InChI=1S/C41H51ClN10O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-9-4-3-5-10-25)52-37(55)26-14-16-28(42)17-15-26)40(58)50-31(13-8-18-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,47H,8,13,18-21,23H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/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	1.30	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization				J Med Chem 50: 3222-8 (2007) Article DOI: 10.1021/jm070064l BindingDB Entry DOI: 10.7270/Q2028R81
					More data for this Ligand-Target Pair