Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 528.6 BDBM147078

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147078 (US8957074, 118) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC3=O)CC3CCC(C4)N3)nc2n1C1CCCC1 |TLB:19:20:30:26.27,THB:21:20:30:26.27| Show InChI InChI=1S/C29H36N8O2/c1-35(2)27(39)23-11-18-15-31-28(34-26(18)37(23)21-5-3-4-6-21)33-24-10-9-22(16-30-24)36-17-29(14-25(36)38)12-19-7-8-20(13-29)32-19/h9-11,15-16,19-21,32H,3-8,12-14,17H2,1-2H3,(H,30,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM147078 (US8957074, 118) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC3=O)CC3CCC(C4)N3)nc2n1C1CCCC1 |TLB:19:20:30:26.27,THB:21:20:30:26.27| Show InChI InChI=1S/C29H36N8O2/c1-35(2)27(39)23-11-18-15-31-28(34-26(18)37(23)21-5-3-4-6-21)33-24-10-9-22(16-30-24)36-17-29(14-25(36)38)12-19-7-8-20(13-29)32-19/h9-11,15-16,19-21,32H,3-8,12-14,17H2,1-2H3,(H,30,31,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.50E+4	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