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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Relaxin receptor 1' and Ligand = 'BDBM50449841'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Relaxin receptor 1


(Homo sapiens (Human))		BDBM50449841
PNG
(CHEMBL3716488)
Show SMILES CCC(CC)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2/c1-3-13(4-2)18(26)25-17-11-6-5-10-16(17)19(27)24-15-9-7-8-14(12-15)20(21,22)23/h5-13H,3-4H2,1-2H3,(H,24,27)(H,25,26)
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PC cid
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Article
PubMed
n/an/an/an/a 5.29E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay

Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair