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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-alpha' and Ligand = 'BDBM50466900'   
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-alpha


(Homo sapiens (Human))		BDBM50466900
PNG
(CHEMBL4277076)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C27H31N3O2/c1-29-18-24(19-13-15-30(16-14-19)27(32)21-9-5-6-10-21)23-17-22(11-12-25(23)29)28-26(31)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1H3,(H,28,31)
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PC cid
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Article
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n/an/a>3.00E+4n/an/an/an/an/an/a



Karo Bio AB (now Karo Pharma AB)

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORA (unknown origin) assessed as inhibition of biotinylated co-activator SRC1-2 peptide recruitment after 3 hrs by TR-FR...

J Med Chem 61: 10415-10439 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T
More data for this
Ligand-Target Pair