BDBM50174975 CHEMBL3808727

SMILES: Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)[nH]c(=O)c12

InChI Key: InChIKey=QYZFRWNAPRKQJC-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 = 50174975   

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 1 (CDK1) (Homo sapiens (Human))	BDBM50174975 (CHEMBL3808727) Show SMILES Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)[nH]c(=O)c12 Show InChI InChI=1S/C19H17N5O2/c1-12-17-18(24(23-12)14-5-3-2-4-6-14)21-16(22-19(17)26)11-20-13-7-9-15(25)10-8-13/h2-10,20,25H,11H2,1H3,(H,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B (unknown origin)				Bioorg Med Chem Lett 26: 3093-7 (2016) BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50174975 (CHEMBL3808727) Show SMILES Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)[nH]c(=O)c12 Show InChI InChI=1S/C19H17N5O2/c1-12-17-18(24(23-12)14-5-3-2-4-6-14)21-16(22-19(17)26)11-20-13-7-9-15(25)10-8-13/h2-10,20,25H,11H2,1H3,(H,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of Abl (unknown origin)				Bioorg Med Chem Lett 26: 3093-7 (2016) BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50174975 (CHEMBL3808727) Show SMILES Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)[nH]c(=O)c12 Show InChI InChI=1S/C19H17N5O2/c1-12-17-18(24(23-12)14-5-3-2-4-6-14)21-16(22-19(17)26)11-20-13-7-9-15(25)10-8-13/h2-10,20,25H,11H2,1H3,(H,21,22,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 26: 3093-7 (2016) BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair