BindingDB logo
myBDB logout

BDBM61877 2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-b]pyridin-2-ylsulfanyl)-N-[1,3,4]thiadiazol-2-yl-acetamide::2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-(1,3,4-thiadiazol-2-yl)acetamide::2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide::2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-(1,3,4-thiadiazol-2-yl)acetamide::2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)ethanamide::2-[(3-cyano-7-hydroxy-5-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-(1,3,4-thiadiazol-2-yl)acetamide::MLS001222116::SMR000606644::cid_6499469

SMILES: Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12

InChI Key: InChIKey=PQPVKPUSPFHSSH-UHFFFAOYSA-N

Data: 8 IC50

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 = 61877   
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))
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.53E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9.65E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens)
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 6.13E+3n/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: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.30E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens)
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.75E+3n/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: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair