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BDBM51526 6-[(dimethylamino)methyl]-4-ethyl-7-hydroxy-8-methyl-1-benzopyran-2-one::6-[(dimethylamino)methyl]-4-ethyl-7-hydroxy-8-methyl-coumarin::6-[(dimethylamino)methyl]-4-ethyl-7-hydroxy-8-methylchromen-2-one::6-[(dimethylamino)methyl]-4-ethyl-8-methyl-7-oxidanyl-chromen-2-one::MLS000042532::SMR000048671::cid_5390086

SMILES: CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12

InChI Key: InChIKey=RARZFUFPUFBUEE-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 51526   
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
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM51526
PNG
(6-[(dimethylamino)methyl]-4-ethyl-7-hydroxy-8-meth...)
Show SMILES CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
Show InChI InChI=1S/C15H19NO3/c1-5-10-7-13(17)19-15-9(2)14(18)11(6-12(10)15)8-16(3)4/h6-7,18H,5,8H2,1-4H3
PDB
MMDB

KEGG

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PC cid
PC sid
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PCBioAssay
n/an/a 675n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM51526
PNG
(6-[(dimethylamino)methyl]-4-ethyl-7-hydroxy-8-meth...)
Show SMILES CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
Show InChI InChI=1S/C15H19NO3/c1-5-10-7-13(17)19-15-9(2)14(18)11(6-12(10)15)8-16(3)4/h6-7,18H,5,8H2,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6-tagged human NAMPT expressed in Escherichia coli Rosetta (DE3) cells using PRPP/NAM as substrate/cofactor p...


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM51526
PNG
(6-[(dimethylamino)methyl]-4-ethyl-7-hydroxy-8-meth...)
Show SMILES CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
Show InChI InChI=1S/C15H19NO3/c1-5-10-7-13(17)19-15-9(2)14(18)11(6-12(10)15)8-16(3)4/h6-7,18H,5,8H2,1-4H3
PDB
MMDB

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KEGG

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PC sid
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Article
PubMed
n/an/an/a 1.20E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair