BindingDB PrimarySearch

BDBM50252729 (2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl}oxime) Dihydrochloride::CHEMBL3216659::CHEMBL522503

SMILES: Cl.Cl.Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1

InChI Key: InChIKey=RPWRQYOHVXHGBO-YRZTTZRYSA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50252729
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50252729 ((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50252729 ((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50252729 ((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/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
Beckman Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50252729 ((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/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
Beckman Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50252729 ((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/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
Beckman Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50252729 ((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/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
Beckman Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50252729 ((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/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
Beckman Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair