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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50510358'   
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


(Homo sapiens (Human))
BDBM50510358
PNG
(CHEMBL4459199)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnc(C)n1C
Show InChI InChI=1S/C28H33ClF3N5O3/c1-16-33-12-24(35(16)3)27(39,20-13-37(14-20)17(2)38)19-5-6-23-21(11-19)25(29)22(26(34-23)40-4)15-36-9-7-18(8-10-36)28(30,31)32/h5-6,11-12,18,20,39H,7-10,13-15H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 313n/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
BindingDB Entry DOI: 10.7270/Q2862KRT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50510358
PNG
(CHEMBL4459199)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnc(C)n1C
Show InChI InChI=1S/C28H33ClF3N5O3/c1-16-33-12-24(35(16)3)27(39,20-13-37(14-20)17(2)38)19-5-6-23-21(11-19)25(29)22(26(34-23)40-4)15-36-9-7-18(8-10-36)28(30,31)32/h5-6,11-12,18,20,39H,7-10,13-15H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.80n/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
BindingDB Entry DOI: 10.7270/Q2862KRT
More data for this
Ligand-Target Pair