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BDBM50241457 CHEMBL4096345

SMILES: Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2cncc(Br)c2)cc1

InChI Key: InChIKey=BGPRJAKFLCWTBL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50241457   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241457
PNG
(CHEMBL4096345)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2cncc(Br)c2)cc1
Show InChI InChI=1S/C20H18BrN5OS/c21-15-9-13(10-23-12-15)11-24-20(28)25-16-7-5-14(6-8-16)19(27)26-18-4-2-1-3-17(18)22/h1-10,12H,11,22H2,(H,26,27)(H2,24,25,28)
PDB
MMDB

NCI pathway
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PC cid
PC sid
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Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins ...


J Med Chem 60: 7965-7983 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00467
BindingDB Entry DOI: 10.7270/Q2VM4FDV
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50241457
PNG
(CHEMBL4096345)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2cncc(Br)c2)cc1
Show InChI InChI=1S/C20H18BrN5OS/c21-15-9-13(10-23-12-15)11-24-20(28)25-16-7-5-14(6-8-16)19(27)26-18-4-2-1-3-17(18)22/h1-10,12H,11,22H2,(H,26,27)(H2,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAMPT using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by fluores...


J Med Chem 60: 7965-7983 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00467
BindingDB Entry DOI: 10.7270/Q2VM4FDV
More data for this
Ligand-Target Pair