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SMILES: COc1ccccc1C(=O)c1sccc1-c1ccnc(Cl)c1

InChI Key: InChIKey=RWKLUHAAAMTHPG-UHFFFAOYSA-N

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 = 50467008   
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-gamma


(Homo sapiens (Human))
BDBM50467008
PNG
(CHEMBL4281036)
Show SMILES COc1ccccc1C(=O)c1sccc1-c1ccnc(Cl)c1
Show InChI InChI=1S/C17H12ClNO2S/c1-21-14-5-3-2-4-13(14)16(20)17-12(7-9-22-17)11-6-8-19-15(18)10-11/h2-10H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+4n/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
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM50467008
PNG
(CHEMBL4281036)
Show SMILES COc1ccccc1C(=O)c1sccc1-c1ccnc(Cl)c1
Show InChI InChI=1S/C17H12ClNO2S/c1-21-14-5-3-2-4-13(14)16(20)17-12(7-9-22-17)11-6-8-19-15(18)10-11/h2-10H,1H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/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