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BDBM50111752 CHEMBL3605107

SMILES: CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=CZBHKKCHKMVIKG-VXAIIWMZSA-N

Data: 6 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 6 hits for monomerid = 50111752   
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 JAK2


(Homo sapiens (Human))
BDBM50111752
PNG
(CHEMBL3605107)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method


Bioorg Med Chem 23: 6059-68 (2015)


BindingDB Entry DOI: 10.7270/Q2445P7J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50111752
PNG
(CHEMBL3605107)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method


Bioorg Med Chem 23: 6059-68 (2015)


BindingDB Entry DOI: 10.7270/Q2445P7J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50111752
PNG
(CHEMBL3605107)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) after 1 hr by TR-FRET assay


Bioorg Med Chem 23: 6250-7 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2Z9M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50111752
PNG
(CHEMBL3605107)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method


Bioorg Med Chem 23: 6059-68 (2015)


BindingDB Entry DOI: 10.7270/Q2445P7J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50111752
PNG
(CHEMBL3605107)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay


Bioorg Med Chem 23: 6059-68 (2015)


BindingDB Entry DOI: 10.7270/Q2445P7J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50111752
PNG
(CHEMBL3605107)
Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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n/an/a 284n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method


Bioorg Med Chem 23: 6059-68 (2015)


BindingDB Entry DOI: 10.7270/Q2445P7J
More data for this
Ligand-Target Pair