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SMILES: CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(C)=O

InChI Key: InChIKey=OCAANUCNWHJWBD-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 3 hits for monomerid = 50005482   
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))
BDBM50005482
PNG
(CHEMBL140772 | CHEMBL3234252)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H23N3O4S/c1-3-23-17-7-8-18(15-5-4-6-16(19(15)17)20(23)25)28(26,27)21-14-9-11-22(12-10-14)13(2)24/h4-8,14,21H,3,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50005482
PNG
(CHEMBL140772 | CHEMBL3234252)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H23N3O4S/c1-3-23-17-7-8-18(15-5-4-6-16(19(15)17)20(23)25)28(26,27)21-14-9-11-22(12-10-14)13(2)24/h4-8,14,21H,3,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7.55E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005482
PNG
(CHEMBL140772 | CHEMBL3234252)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H23N3O4S/c1-3-23-17-7-8-18(15-5-4-6-16(19(15)17)20(23)25)28(26,27)21-14-9-11-22(12-10-14)13(2)24/h4-8,14,21H,3,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair