BindingDB logo
myBDB logout

BDBM302142 US9598415, 56

SMILES: CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(c2=O)C2(C)CC2)-c2c(C)ncnc2C2CC2)cc1

InChI Key: InChIKey=ARNXSXFIVULJKK-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 302142   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM302142
PNG
(US9598415, 56)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(c2=O)C2(C)CC2)-c2c(C)ncnc2C2CC2)cc1
Show InChI InChI=1S/C27H29N7O3S/c1-4-38(36,37)19-9-5-17(6-10-19)13-28-24-26(35)34(27(3)11-12-27)25-20(32-24)14-29-23(33-25)21-16(2)30-15-31-22(21)18-7-8-18/h5-6,9-10,14-15,18H,4,7-8,11-13H2,1-3H3,(H,28,32)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ63MW
More data for this
Ligand-Target Pair