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BDBM50203521 CHEMBL3938989

SMILES: CN(C)C(=O)c1ccc2n(nc(Sc3cccc(Cl)c3Cl)c2c1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=RLCMEBXNUSJSAM-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 = 50203521   
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
Retinoid receptor


(Homo sapiens (Human))
BDBM50203521
PNG
(CHEMBL3938989)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3cccc(Cl)c3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-8-11-18-16(12-14)21(32-19-5-3-4-17(24)20(19)25)26-28(18)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


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


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
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50203521
PNG
(CHEMBL3938989)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3cccc(Cl)c3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17Cl2N3O3S/c1-27(2)22(29)14-8-11-18-16(12-14)21(32-19-5-3-4-17(24)20(19)25)26-28(18)15-9-6-13(7-10-15)23(30)31/h3-12H,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.90E+3n/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