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BDBM50108889 CHEMBL3596611

SMILES: CC1(C)CN(C(=O)c2c(F)cccc2Cl)c2ccc(cc2C1)-c1cc(ccc1Cl)C(N)=O

InChI Key: InChIKey=ZSMGSVGOQSVDME-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 = 50108889   
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))
BDBM50108889
PNG
(CHEMBL3596611)
Show SMILES CC1(C)CN(C(=O)c2c(F)cccc2Cl)c2ccc(cc2C1)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C25H21Cl2FN2O2/c1-25(2)12-16-10-14(17-11-15(23(29)31)6-8-18(17)26)7-9-21(16)30(13-25)24(32)22-19(27)4-3-5-20(22)28/h3-11H,12-13H2,1-2H3,(H2,29,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 640n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...


Bioorg Med Chem Lett 25: 2991-7 (2015)


BindingDB Entry DOI: 10.7270/Q2ZP47XQ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50108889
PNG
(CHEMBL3596611)
Show SMILES CC1(C)CN(C(=O)c2c(F)cccc2Cl)c2ccc(cc2C1)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C25H21Cl2FN2O2/c1-25(2)12-16-10-14(17-11-15(23(29)31)6-8-18(17)26)7-9-21(16)30(13-25)24(32)22-19(27)4-3-5-20(22)28/h3-11H,12-13H2,1-2H3,(H2,29,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 450n/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at Gal4 DNA binding domain-tagged human RORgammat expressed in HEK293T cells assessed as effect on receptor-mediated transcr...


Bioorg Med Chem Lett 25: 2991-7 (2015)


BindingDB Entry DOI: 10.7270/Q2ZP47XQ
More data for this
Ligand-Target Pair