BindingDB logo
myBDB logout

5 similar compounds to monomer 50242742

Compile data set for download or QSAR
Wt: 559.0
BDBM50300387
Wt: 545.0
BDBM50300397
Wt: 574.0
BDBM50300382
Wt: 588.1
BDBM50300383
Wt: 642.2
BDBM50436857

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50300387,50300397,50300382,50300383,50436857   
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
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50300382
PNG
(4-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...)
Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)NC)ncc1Cl
Show InChI InChI=1S/C26H32ClN7O4S/c1-4-15-39(36,37)23-8-6-5-7-21(23)30-24-19(27)17-29-25(32-24)31-20-10-9-18(16-22(20)38-3)33-11-13-34(14-12-33)26(35)28-2/h5-10,16-17H,4,11-15H2,1-3H3,(H,28,35)(H2,29,30,31,32)
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 10n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50300383
PNG
(4-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...)
Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)N(C)C)ncc1Cl
Show InChI InChI=1S/C27H34ClN7O4S/c1-5-16-40(37,38)24-9-7-6-8-22(24)30-25-20(28)18-29-26(32-25)31-21-11-10-19(17-23(21)39-4)34-12-14-35(15-13-34)27(36)33(2)3/h6-11,17-18H,5,12-16H2,1-4H3,(H2,29,30,31,32)
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 40n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50436857
PNG
(CHEMBL2403844)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H44ClN7O3S/c1-22(2)43-29-20-25(39-14-12-24(13-15-39)40-18-16-38(5)17-19-40)10-11-27(29)36-32-34-21-26(33)31(37-32)35-28-8-6-7-9-30(28)44(41,42)23(3)4/h6-11,20-24H,12-19H2,1-5H3,(H2,34,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 414n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of TEL-fused insulin receptor (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay


J Med Chem 56: 5675-90 (2014)


Article DOI: 10.1021/jm400402q
BindingDB Entry DOI: 10.7270/Q2G1627J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50300397
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-me...)
Show SMILES CNC1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)c1
Show InChI InChI=1S/C26H33ClN6O3S/c1-17(2)37(34,35)24-8-6-5-7-22(24)30-25-20(27)16-29-26(32-25)31-21-10-9-19(15-23(21)36-4)33-13-11-18(28-3)12-14-33/h5-10,15-18,28H,11-14H2,1-4H3,(H2,29,30,31,32)
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 2.00E+3n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436857
PNG
(CHEMBL2403844)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H44ClN7O3S/c1-22(2)43-29-20-25(39-14-12-24(13-15-39)40-18-16-38(5)17-19-40)10-11-27(29)36-32-34-21-26(33)31(37-32)35-28-8-6-7-9-30(28)44(41,42)23(3)4/h6-11,20-24H,12-19H2,1-5H3,(H2,34,35,36,37)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay


J Med Chem 56: 5675-90 (2014)


Article DOI: 10.1021/jm400402q
BindingDB Entry DOI: 10.7270/Q2G1627J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50300387
PNG
(1-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...)
Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(N)=O)ncc1Cl
Show InChI InChI=1S/C26H31ClN6O4S/c1-3-14-38(35,36)23-7-5-4-6-21(23)30-25-19(27)16-29-26(32-25)31-20-9-8-18(15-22(20)37-2)33-12-10-17(11-13-33)24(28)34/h4-9,15-17H,3,10-14H2,1-2H3,(H2,28,34)(H2,29,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.018
BindingDB Entry DOI: 10.7270/Q25X290Z
More data for this
Ligand-Target Pair