BindingDB logo
myBDB logout

2 similar compounds to monomer 41069

Compile data set for download or QSAR
Wt: 440.3
BDBM41093
Purchase
Wt: 419.8
BDBM84241
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 41093,84241   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41093
PNG
(3,6-bis(chloranyl)-N-[3-([1,3]oxazolo[4,5-b]pyridi...)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H11Cl2N3O2S/c22-12-6-7-14-16(10-12)29-18(17(14)23)20(27)25-13-4-1-3-11(9-13)21-26-19-15(28-21)5-2-8-24-19/h1-10H,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.27E+3n/an/an/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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41093
PNG
(3,6-bis(chloranyl)-N-[3-([1,3]oxazolo[4,5-b]pyridi...)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H11Cl2N3O2S/c22-12-6-7-14-16(10-12)29-18(17(14)23)20(27)25-13-4-1-3-11(9-13)21-26-19-15(28-21)5-2-8-24-19/h1-10H,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.95E+4n/an/an/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 (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM41093
PNG
(3,6-bis(chloranyl)-N-[3-([1,3]oxazolo[4,5-b]pyridi...)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H11Cl2N3O2S/c22-12-6-7-14-16(10-12)29-18(17(14)23)20(27)25-13-4-1-3-11(9-13)21-26-19-15(28-21)5-2-8-24-19/h1-10H,(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.21E+3n/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/Q2V986KM
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM41093
PNG
(3,6-bis(chloranyl)-N-[3-([1,3]oxazolo[4,5-b]pyridi...)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H11Cl2N3O2S/c22-12-6-7-14-16(10-12)29-18(17(14)23)20(27)25-13-4-1-3-11(9-13)21-26-19-15(28-21)5-2-8-24-19/h1-10H,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM41093
PNG
(3,6-bis(chloranyl)-N-[3-([1,3]oxazolo[4,5-b]pyridi...)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H11Cl2N3O2S/c22-12-6-7-14-16(10-12)29-18(17(14)23)20(27)25-13-4-1-3-11(9-13)21-26-19-15(28-21)5-2-8-24-19/h1-10H,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.22E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2RB734K
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM41093
PNG
(3,6-bis(chloranyl)-N-[3-([1,3]oxazolo[4,5-b]pyridi...)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H11Cl2N3O2S/c22-12-6-7-14-16(10-12)29-18(17(14)23)20(27)25-13-4-1-3-11(9-13)21-26-19-15(28-21)5-2-8-24-19/h1-10H,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM84241
PNG
(3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-me...)
Show SMILES Cc1ccc(cc1NC(=O)c1sc2ccccc2c1Cl)-c1nc2ncccc2o1
Show InChI InChI=1S/C22H14ClN3O2S/c1-12-8-9-13(22-26-20-16(28-22)6-4-10-24-20)11-15(12)25-21(27)19-18(23)14-5-2-3-7-17(14)29-19/h2-11H,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 722n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2RB734K
More data for this
Ligand-Target Pair