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SMILES: ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O

InChI Key: InChIKey=NYOUWELKHWCYQM-UHFFFAOYSA-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 8 hits for monomerid = 50640   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.25E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.22E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.42E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.55E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR2


(Candida albicans)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.06E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair