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BDBM50529875 CHEMBL4580000

SMILES: Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1

InChI Key: InChIKey=IICSXHYHGAAWBA-IZZDOVSWSA-N

Data: 4 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 4 hits for monomerid = 50529875   
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))
BDBM50529875
PNG
(CHEMBL4580000)
Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1
Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Displacement of Kinase tracer 236 from recombinant full-length human N-terminal GST-fused CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) expre...


Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM50529875
PNG
(CHEMBL4580000)
Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1
Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Displacement of Kinase tracer 236 from GST-fused CDK19/cyclin C (unknown origin) after 60 mins by TR-FRET assay


Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM50529875
PNG
(CHEMBL4580000)
Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1
Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Displacement of Kinase tracer 236 from GST-fused CDK19/cyclin C (unknown origin) after 60 mins by TR-FRET assay


Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50529875
PNG
(CHEMBL4580000)
Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1
Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Displacement of Kinase tracer 236 from recombinant full-length human N-terminal GST-fused CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) expre...


Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
More data for this
Ligand-Target Pair