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SMILES: COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1

InChI Key:

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 3 hits for monomerid = 50588274   
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


(Homo sapiens (Human))
BDBM50588274
PNG
(CHEMBL5195947)
Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM
More data for this
Ligand-Target Pair
Caspase-3/Caspase-7


(Homo sapiens (Human))
BDBM50588274
PNG
(CHEMBL5195947)
Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 120n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50588274
PNG
(CHEMBL5195947)
Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM
More data for this
Ligand-Target Pair