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BDBM50529754 CHEMBL579353::GNF-Pf-2789

SMILES: CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12

InChI Key: InChIKey=ZEHGJPVTWNYYHP-JLHYYAGUSA-N

Data: 10 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 10 hits for monomerid = 50529754   
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
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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n/an/a 7.74E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human ERBB4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human LYN-B using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
CaM kinase I gamma


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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UniChem
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n/an/a 4.81E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1G using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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n/an/a 6.85E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human CSK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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n/an/a 6.85E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human CSK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human LYN-B using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
CaM kinase I gamma


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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UniChem
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n/an/a 4.81E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1G using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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n/an/a 5.15E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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n/an/a 5.15E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50529754
PNG
(CHEMBL579353 | GNF-Pf-2789)
Show SMILES CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C27H34Cl2N4O2/c1-6-33(7-2)14-8-9-18(3)30-27-21-12-11-20(28)16-23(21)31-26(32-27)13-10-19-15-24(34-4)25(35-5)17-22(19)29/h10-13,15-18H,6-9,14H2,1-5H3,(H,30,31,32)/b13-10+
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UniChem
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n/an/a 7.74E+3n/an/an/an/an/an/a



University of Silesia in Katowice

Curated by ChEMBL


Assay Description
Inhibition of human ERBB4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 610-625 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.012
More data for this
Ligand-Target Pair