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BDBM50446301 CHEMBL3109326

SMILES: CCCN(Cc1ccc(C)cc1)Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1

InChI Key: InChIKey=MHRZSXZCLRRDDT-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50446301   
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 (RORC)


(Homo sapiens (Human))
BDBM50446301
PNG
(CHEMBL3109326)
Show SMILES CCCN(Cc1ccc(C)cc1)Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1
Show InChI InChI=1S/C28H34N2O3S/c1-4-18-30(20-24-8-6-22(3)7-9-24)21-25-10-14-26(15-11-25)29-28(31)19-23-12-16-27(17-13-23)34(32,33)5-2/h6-17H,4-5,18-21H2,1-3H3,(H,29,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inverse agonist activity at biotinylated human RORgammat expressed in Escherichia coli BL21 assessed as effect on recruitment of SRC1/2 after 1 hr by...


ACS Med Chem Lett 5: 65-8 (2014)


Article DOI: 10.1021/ml4003875
BindingDB Entry DOI: 10.7270/Q2794654
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50446301
PNG
(CHEMBL3109326)
Show SMILES CCCN(Cc1ccc(C)cc1)Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1
Show InChI InChI=1S/C28H34N2O3S/c1-4-18-30(20-24-8-6-22(3)7-9-24)21-25-10-14-26(15-11-25)29-28(31)19-23-12-16-27(17-13-23)34(32,33)5-2/h6-17H,4-5,18-21H2,1-3H3,(H,29,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inverse agonist activity at biotinylated human RORgammat LBD expressed in Escherichia coli BL21 assessed as inhibition of SRC1 recruitment after 1 hr...


ACS Med Chem Lett 5: 65-8 (2014)


Article DOI: 10.1021/ml4003875
BindingDB Entry DOI: 10.7270/Q2794654
More data for this
Ligand-Target Pair