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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50203487'   
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50203487
PNG
(CHEMBL3961289)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-8-11-19-16(12-14)21(32-20-17(24)4-3-5-18(20)25)26-28(19)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair