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BDBM50286480 CHEMBL4159972

SMILES: ONC(=O)\C=C\c1ccc(CN(Cc2ccc(F)cc2)c2ncc(s2)C(=O)NCCCn2ccnc2)cc1

InChI Key: InChIKey=MINLAVWRIIAIGN-DHZHZOJOSA-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 = 50286480   
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))
BDBM50286480
PNG
(CHEMBL4159972)
Show SMILES ONC(=O)\C=C\c1ccc(CN(Cc2ccc(F)cc2)c2ncc(s2)C(=O)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C27H27FN6O3S/c28-23-9-6-22(7-10-23)18-34(17-21-4-2-20(3-5-21)8-11-25(35)32-37)27-31-16-24(38-27)26(36)30-12-1-14-33-15-13-29-19-33/h2-11,13,15-16,19,37H,1,12,14,17-18H2,(H,30,36)(H,32,35)/b11-8+
PDB
MMDB

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KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 91n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human C-terminal His/flag-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells after 30 mins by fluo...


ACS Med Chem Lett 9: 34-38 (2018)


BindingDB Entry DOI: 10.7270/Q2CZ39PH
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50286480
PNG
(CHEMBL4159972)
Show SMILES ONC(=O)\C=C\c1ccc(CN(Cc2ccc(F)cc2)c2ncc(s2)C(=O)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C27H27FN6O3S/c28-23-9-6-22(7-10-23)18-34(17-21-4-2-20(3-5-21)8-11-25(35)32-37)27-31-16-24(38-27)26(36)30-12-1-14-33-15-13-29-19-33/h2-11,13,15-16,19,37H,1,12,14,17-18H2,(H,30,36)(H,32,35)/b11-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin) using NAM as substrate incubated for 5 mins followed by substrate addition measured after 15 mins by fluorometri...


ACS Med Chem Lett 9: 34-38 (2018)


BindingDB Entry DOI: 10.7270/Q2CZ39PH
More data for this
Ligand-Target Pair