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BDBM50430827 CHEMBL2335147

SMILES: Cc1noc(C)c1-c1cc(O)cc(c1)[C@H](O)c1ccccc1

InChI Key: InChIKey=FEQUIPXIENTMJN-GOSISDBHSA-N

Data: 2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50430827   
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))
BDBM50430827
PNG
(CHEMBL2335147)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@H](O)c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 360n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human N-His-tagged BRD4 bromodomain 1 by surface plasmon resonance analysis


J Med Chem 56: 3217-27 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50430827
PNG
(CHEMBL2335147)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@H](O)c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 386n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50430827
PNG
(CHEMBL2335147)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@H](O)c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)

More data for this
Ligand-Target Pair