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BDBM50267005 CHEMBL4099455

SMILES: Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O

InChI Key: InChIKey=GPMNHYJTFYQIDD-UHFFFAOYSA-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 = 50267005   
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
Peregrin


(Homo sapiens (Human))
BDBM50267005
PNG
(CHEMBL4099455)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50267005
PNG
(CHEMBL4099455)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O
Show InChI InChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair