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BDBM50252727 (2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2,3-dihydroxypropyl)amino]ethyl}oxime]::CHEMBL494867

SMILES: CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO

InChI Key: InChIKey=RWKFWKPIQLFUQP-OQBIKMBDSA-N

Data: 11 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 11 hits for monomerid = 50252727   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 240n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B

J Med Chem 51: 6421-31 (2008)


Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 9.70n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a<0.5n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Src (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 551n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 10n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABL1 (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 178n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABL1 T315I mutant (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 589n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 7.20n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABL1 (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 42n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 194n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABL1 T315I mutant (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50252727
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)
Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+
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n/an/a 0.610n/an/an/an/an/an/a



Beckman Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Src (unknown origin) after 120 mins in presence of [33P]ATP

J Nat Prod 79: 2464-2471 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00285
BindingDB Entry DOI: 10.7270/Q2GF0WZR
More data for this
Ligand-Target Pair