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BDBM50191472 CHEMBL3956719

SMILES: Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1

InChI Key: InChIKey=QJIOPOJQZXHHEW-SFHVURJKSA-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 = 50191472   
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-C


(Homo sapiens (Human))
BDBM50191472
PNG
(CHEMBL3956719)
Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H18ClN3O/c1-12-16-11-14(6-9-17(16)22-21-12)19(24)23-10-2-3-18(23)13-4-7-15(20)8-5-13/h4-9,11,18H,2-3,10H2,1H3,(H,21,22)/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat...


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50191472
PNG
(CHEMBL3956719)
Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H18ClN3O/c1-12-16-11-14(6-9-17(16)22-21-12)19(24)23-10-2-3-18(23)13-4-7-15(20)8-5-13/h4-9,11,18H,2-3,10H2,1H3,(H,21,22)/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene ...


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair