BDBM50420299 CHEMBL2089034

SMILES: CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO

InChI Key: InChIKey=OQUWTJLQOZIRFA-VQTJNVASSA-N

Data: 4 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 4 hits for monomerid = 50420299   

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 5 (CDK5) (Homo sapiens (Human))	BDBM50420299 (CHEMBL2089034) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-28-22-23(29-25(30-24(22)32)31-13-20(34)11-19(31)14-33)27-12-17-6-8-18(9-7-17)21-5-3-4-10-26-21/h3-10,15-16,19-20,33-34H,11-14H2,1-2H3,(H,27,29,30)/t19-,20+/m0/s1	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	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 expressed in Escherichia coli				Eur J Med Chem 56: 210-216 (2012) Article DOI: 10.1016/j.ejmech.2012.08.033 BindingDB Entry DOI: 10.7270/Q2ST7R34
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50420299 (CHEMBL2089034) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-28-22-23(29-25(30-24(22)32)31-13-20(34)11-19(31)14-33)27-12-17-6-8-18(9-7-17)21-5-3-4-10-26-21/h3-10,15-16,19-20,33-34H,11-14H2,1-2H3,(H,27,29,30)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli after 30 mins by liquid scintillation counter				Eur J Med Chem 56: 210-216 (2012) Article DOI: 10.1016/j.ejmech.2012.08.033 BindingDB Entry DOI: 10.7270/Q2ST7R34
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM50420299 (CHEMBL2089034) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-28-22-23(29-25(30-24(22)32)31-13-20(34)11-19(31)14-33)27-12-17-6-8-18(9-7-17)21-5-3-4-10-26-21/h3-10,15-16,19-20,33-34H,11-14H2,1-2H3,(H,27,29,30)/t19-,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1 after 30 mins by liquid scintillation counter				Eur J Med Chem 56: 210-216 (2012) Article DOI: 10.1016/j.ejmech.2012.08.033 BindingDB Entry DOI: 10.7270/Q2ST7R34
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50420299 (CHEMBL2089034) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-28-22-23(29-25(30-24(22)32)31-13-20(34)11-19(31)14-33)27-12-17-6-8-18(9-7-17)21-5-3-4-10-26-21/h3-10,15-16,19-20,33-34H,11-14H2,1-2H3,(H,27,29,30)/t19-,20+/m0/s1	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	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus-infected insect cells				Eur J Med Chem 56: 210-216 (2012) Article DOI: 10.1016/j.ejmech.2012.08.033 BindingDB Entry DOI: 10.7270/Q2ST7R34
					More data for this Ligand-Target Pair