BindingDB logo
myBDB logout

BDBM167736 US9073922, 224::US9796708, Example 224

SMILES: COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1

InChI Key: InChIKey=FWXIKQBBCWJCQD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 167736   
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))
BDBM167736
PNG
(US9073922, 224 | US9796708, Example 224)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C23H25FN4O2/c1-27(2)22(29)14-28-10-7-15(8-11-28)20-13-19-17(6-9-25-23(19)26-20)18-12-16(24)4-5-21(18)30-3/h4-7,9,12-13H,8,10-11,14H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 39n/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 US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM167736
PNG
(US9073922, 224 | US9796708, Example 224)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C23H25FN4O2/c1-27(2)22(29)14-28-10-7-15(8-11-28)20-13-19-17(6-9-25-23(19)26-20)18-12-16(24)4-5-21(18)30-3/h4-7,9,12-13H,8,10-11,14H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 39n/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 US9073922 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8C78
More data for this
Ligand-Target Pair