BDBM50132175 2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-methyl]-phenol::CHEMBL101552

SMILES: CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12

InChI Key: InChIKey=ZMLXUURZINLKCX-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 = 50132175   

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))	BDBM50132175 (2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...) Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12 Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	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))	BDBM50132175 (2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...) Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12 Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of CDK1/CyclinB (unknown origin)				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					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))	BDBM50132175 (2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...) Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12 Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	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