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BDBM50467011 CHEMBL4293341

SMILES: Nc1ccc(C(=O)c2ccccc2Cl)c(c1)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=QVMQHDGGAVIKDQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50467011   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM50467011
PNG
(CHEMBL4293341)
Show SMILES Nc1ccc(C(=O)c2ccccc2Cl)c(c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H13ClF3NO/c21-18-7-2-1-6-16(18)19(26)15-9-8-14(25)11-17(15)12-4-3-5-13(10-12)20(22,23)24/h1-11H,25H2
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD (71 to 459 residues) expressed in Escherichia coli BL21(DE3) after 1...


Bioorg Med Chem Lett 28: 3210-3215 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.017
BindingDB Entry DOI: 10.7270/Q2KW5JPB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50467011
PNG
(CHEMBL4293341)
Show SMILES Nc1ccc(C(=O)c2ccccc2Cl)c(c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H13ClF3NO/c21-18-7-2-1-6-16(18)19(26)15-9-8-14(25)11-17(15)12-4-3-5-13(10-12)20(22,23)24/h1-11H,25H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORgamma LBD (265 to 518 residues) expressed in Escherichia coli BL21(DE3) after...


Bioorg Med Chem Lett 28: 3210-3215 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.017
BindingDB Entry DOI: 10.7270/Q2KW5JPB
More data for this
Ligand-Target Pair