BDBM147047 US8957074, 87

SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCCCC1

InChI Key: InChIKey=BXALLQBVYDONPU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 147047   

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 (Homo sapiens (Human))	BDBM147047 (US8957074, 87) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCCCC1 Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.14E+3	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147047 (US8957074, 87) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCCCC1 Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair