BindingDB logo
myBDB logout

BDBM223938 US9328112, 160

SMILES: CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=MMEUSVCQHRYTGH-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 = 223938   
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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM223938
PNG
(US9328112, 160)
Show SMILES CN1Cc2c([nH]c3nccc(-c4ccccc14)c23)C1=CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C21H22N4O2S/c1-24-13-17-19-16(15-5-3-4-6-18(15)24)7-10-22-21(19)23-20(17)14-8-11-25(12-9-14)28(2,26)27/h3-8,10H,9,11-13H2,1-2H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/an/an/an/an/an/a



AbbVie Inc

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were diluted in 100% D...


US Patent US9328112 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZVM
More data for this
Ligand-Target Pair