BindingDB logo
myBDB logout

null

SMILES: COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12

InChI Key: InChIKey=QLSLKIKHHYNILC-VLGSPTGOSA-N

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 = 43007   
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
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM43007
PNG
(5-chloranyl-N-(4-methoxy-3-prop-2-ynyl-1,3-benzoth...)
Show SMILES COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12
Show InChI InChI=1S/C16H11ClN2O2S2/c1-3-9-19-14-10(21-2)5-4-6-11(14)23-16(19)18-15(20)12-7-8-13(17)22-12/h1,4-8H,9H2,2H3/b18-16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.84E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))
BDBM43007
PNG
(5-chloranyl-N-(4-methoxy-3-prop-2-ynyl-1,3-benzoth...)
Show SMILES COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12
Show InChI InChI=1S/C16H11ClN2O2S2/c1-3-9-19-14-10(21-2)5-4-6-11(14)23-16(19)18-15(20)12-7-8-13(17)22-12/h1,4-8H,9H2,2H3/b18-16-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.29E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM43007
PNG
(5-chloranyl-N-(4-methoxy-3-prop-2-ynyl-1,3-benzoth...)
Show SMILES COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12
Show InChI InChI=1S/C16H11ClN2O2S2/c1-3-9-19-14-10(21-2)5-4-6-11(14)23-16(19)18-15(20)12-7-8-13(17)22-12/h1,4-8H,9H2,2H3/b18-16-
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.16E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair