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SMILES: COc1nc2ccc(cc2c(Cl)c1CC1CCS(=O)(=O)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C

InChI Key: InChIKey=ZEBDXLBFXAILOV-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 = 50510359   
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))
BDBM50510359
PNG
(CHEMBL4466031)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCS(=O)(=O)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H30ClN5O4S/c1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)37-4)13-18-9-11-38(35,36)12-10-18/h5-8,14-15,18,34H,9-13H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...


Bioorg Med Chem Lett 29: 1463-1470 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.021
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50510359
PNG
(CHEMBL4466031)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCS(=O)(=O)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H30ClN5O4S/c1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)37-4)13-18-9-11-38(35,36)12-10-18/h5-8,14-15,18,34H,9-13H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...


Bioorg Med Chem Lett 29: 1463-1470 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.021
More data for this
Ligand-Target Pair