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BDBM167604 US9073922, 89::US9796708, Example 89

SMILES: CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CCOCC2)n1

InChI Key: InChIKey=SRKUKIVBBDFOGG-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 167604   
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))
BDBM167604
PNG
(US9073922, 89 | US9796708, Example 89)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CCOCC2)n1
Show InChI InChI=1S/C24H31N5O/c1-29-11-6-18(7-12-29)22-15-20-19(5-10-25-24(20)28-22)21-3-2-4-23(27-21)26-16-17-8-13-30-14-9-17/h2-5,10,15,17-18H,6-9,11-14,16H2,1H3,(H,25,28)(H,26,27)
PDB
MMDB

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KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 34n/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)


Article DOI: 10.1016/j.bioorg.2006.09.004
BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM167604
PNG
(US9073922, 89 | US9796708, Example 89)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CCOCC2)n1
Show InChI InChI=1S/C24H31N5O/c1-29-11-6-18(7-12-29)22-15-20-19(5-10-25-24(20)28-22)21-3-2-4-23(27-21)26-16-17-8-13-30-14-9-17/h2-5,10,15,17-18H,6-9,11-14,16H2,1H3,(H,25,28)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 34n/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