BindingDB logo
myBDB logout

BDBM307949 trans-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-yl]pyridin-2-yl}-N′-(3-methoxypropyl)cyclohexane-1,4-diamine::US9650358, Example 245

SMILES: COCCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1

InChI Key: InChIKey=UGGPFSXJOZSUPW-RQNOJGIXSA-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 = 307949   
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
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM307949
PNG
( trans-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzim...)
Show SMILES COCCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C29H33ClFN5O/c1-37-13-3-12-32-23-7-9-24(10-8-23)35-29-16-25(26(30)17-33-29)21-6-11-27-28(15-21)36(19-34-27)18-20-4-2-5-22(31)14-20/h2,4-6,11,14-17,19,23-24,32H,3,7-10,12-13,18H2,1H3,(H,33,35)/t23-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 49n/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 directly added in...


US Patent US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair