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PDB code 4ZJR

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma

  (223/223 = 100%)
(Homo sapiens (Human))
BDBM50108900
PNG
(CHEMBL3596631)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 11n/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)


Article DOI: 10.1016/j.bmcl.2015.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma

  (223/223 = 100%)
(Homo sapiens (Human))
BDBM50108900
PNG
(CHEMBL3596631)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 93n/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)


Article DOI: 10.1016/j.bmcl.2015.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output