BDBM50346236 9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-azonia-dibenzo[a,e]azulene bromide::CHEMBL1782169

SMILES: O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1

InChI Key: InChIKey=OYRDVNBEBYNKPM-UHFFFAOYSA-O

Data: 7 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 7 hits for monomerid = 50346236   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin A assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation c...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation counti...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed as incorporation of [gamma-33P]-ATP in to pRB fragment (773 to 928) ...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
					More data for this Ligand-Target Pair
Glycogen synthase kinase 3 (Plasmodium falciparum (isolate 3D7))	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum GSK3				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
					More data for this Ligand-Target Pair
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of CLK1				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli assessed as assessed as incorporation of [gamma-33P]-ATP into myelin bas...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Sus scrofa)	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
					More data for this Ligand-Target Pair