BDBM126536 US8778951, 347

SMILES: CC1(CNc2nc(ccc2F)-c2cc(NC3CCC(CC3)NC3CS(=O)(=O)C3)ncc2Cl)CCOCC1

InChI Key: InChIKey=KPTVNAYFQMTYFR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 126536   

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-T1 (Homo sapiens (Human))	BDBM126536 (US8778951, 347) Show SMILES CC1(CNc2nc(ccc2F)-c2cc(NC3CCC(CC3)NC3CS(=O)(=O)C3)ncc2Cl)CCOCC1 |(.29,-1.21,;.29,-2.75,;-1.05,-1.98,;-2.38,-2.75,;-3.71,-1.98,;-3.71,-.44,;-5.05,.33,;-6.38,-.44,;-6.38,-1.98,;-5.05,-2.75,;-5.05,-4.29,;-5.05,1.87,;-3.71,2.64,;-3.71,4.18,;-2.38,4.95,;-1.05,4.18,;-1.05,2.64,;.29,1.87,;1.62,2.64,;1.62,4.18,;.29,4.95,;2.95,1.87,;4.29,2.64,;5.78,2.24,;6.17,3.73,;7.71,3.73,;6.94,5.06,;4.69,4.13,;-5.05,4.95,;-6.38,4.18,;-6.38,2.64,;-7.71,1.87,;.29,-4.29,;1.62,-5.06,;2.95,-4.29,;2.95,-2.75,;1.62,-1.98,)| Show InChI InChI=1S/C26H35ClFN5O3S/c1-26(8-10-36-11-9-26)16-30-25-22(28)6-7-23(33-25)20-12-24(29-13-21(20)27)32-18-4-2-17(3-5-18)31-19-14-37(34,35)15-19/h6-7,12-13,17-19,31H,2-5,8-11,14-16H2,1H3,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final total protein concentration in the assay 4 nM. The 5TAMRA-cdk7tide peptide substrat...				US Patent US8778951 (2014) BindingDB Entry DOI: 10.7270/Q25B014T
					More data for this Ligand-Target Pair