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BDBM50250895 CHEMBL4070185

SMILES: COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12

InChI Key: InChIKey=NOUWNNKJXITJIE-OAHLLOKOSA-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 = 50250895   
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
CREB-binding protein


(Homo sapiens (Human))
BDBM50250895
PNG
(CHEMBL4070185)
Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r|
Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250895
PNG
(CHEMBL4070185)
Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r|
Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair