BDBM50132178 5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-methyl]-2-methoxy-phenol::CHEMBL322182

SMILES: COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O

InChI Key: InChIKey=HQQQZRZVXWMIEP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50132178   

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 B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50132178 (5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...) Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B				Bioorg Med Chem Lett 13: 2989-92 (2003) BindingDB Entry DOI: 10.7270/Q29Z948Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50132178 (5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...) Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK1/cyclin B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9328-z BindingDB Entry DOI: 10.7270/Q2DZ0C5S
					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50132178 (5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...) Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B				Bioorg Med Chem Lett 13: 2989-92 (2003) BindingDB Entry DOI: 10.7270/Q29Z948Q
					More data for this Ligand-Target Pair