BDBM50425001 CHEMBL2312194

SMILES: CC[C@@H](CO)Nc1nc(Cc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=WUTFIZGMCPBYJH-IBGZPJMESA-N

Data: 2 KI

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 2 hits for monomerid = 50425001   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50425001 (CHEMBL2312194) Show SMILES CC[C@@H](CO)Nc1nc(Cc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C24H28N6O/c1-4-19(14-31)27-24-28-21(22-23(29-24)30(15-26-22)16(2)3)13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,31H,4,13-14H2,1-3H3,(H,27,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50425001 (CHEMBL2312194) Show SMILES CC[C@@H](CO)Nc1nc(Cc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C24H28N6O/c1-4-19(14-31)27-24-28-21(22-23(29-24)30(15-26-22)16(2)3)13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,31H,4,13-14H2,1-3H3,(H,27,28,29)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair