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BDBM50520670 CHEMBL4459071

SMILES: Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCCCC1

InChI Key: InChIKey=MMTWLQZHWOBGFG-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50520670   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50520670
PNG
(CHEMBL4459071)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCCCC1
Show InChI InChI=1S/C24H25N3OS/c1-17-25-26-23-16-28-15-21-20(14-19-10-6-3-7-11-19)22(29-24(21)27(17)23)13-12-18-8-4-2-5-9-18/h3,6-7,10-11,18H,2,4-5,8-9,14-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50520670
PNG
(CHEMBL4459071)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCCCC1
Show InChI InChI=1S/C24H25N3OS/c1-17-25-26-23-16-28-15-21-20(14-19-10-6-3-7-11-19)22(29-24(21)27(17)23)13-12-18-8-4-2-5-9-18/h3,6-7,10-11,18H,2,4-5,8-9,14-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
More data for this
Ligand-Target Pair