BindingDB logo
myBDB logout

BDBM50436643 3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)-benzoic acid (Compound 1b)::CHEMBL2398292

SMILES: CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=VXBRZBNJAKCQTI-UHFFFAOYSA-N

Data: 6 IC50  3 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 9 hits for monomerid = 50436643   
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
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 850n/an/an/a2.225



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
A concentration series of each compound was injected at a flow rate of 90 µL/min over three spots at 25°C. The times allowed for compound a...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as direct binding constant at steady state by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair