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BDBM50239575 CHEMBL4066935

SMILES: Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1

InChI Key: InChIKey=ZEFGFAQVPMQFOV-UHFFFAOYSA-N

Data: 2 KI

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 = 50239575   
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))
BDBM50239575
PNG
(CHEMBL4066935)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|
Show InChI InChI=1S/C19H17N3O4/c1-9-2-4-10(5-3-9)13-14-12(8-26-18(14)24)20-16-15(13)17(23)21-19(25)22(16)11-6-7-11/h2-5,11,13,20H,6-8H2,1H3,(H,21,23,25)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239575
PNG
(CHEMBL4066935)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|
Show InChI InChI=1S/C19H17N3O4/c1-9-2-4-10(5-3-9)13-14-12(8-26-18(14)24)20-16-15(13)17(23)21-19(25)22(16)11-6-7-11/h2-5,11,13,20H,6-8H2,1H3,(H,21,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair