Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126552'   

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-T1 (Homo sapiens (Human))	BDBM126552 (US8778951, 363) Show SMILES Clc1cnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)cc1-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.5,wD:9.12,(-7.57,1.92,;-6.23,2.69,;-6.23,4.23,;-4.9,5,;-3.56,4.23,;-2.23,5.01,;-.9,4.24,;.44,5.01,;1.77,4.24,;1.77,2.7,;.44,1.93,;-.9,2.7,;3.1,1.93,;4.59,2.32,;5.68,1.23,;7.17,1.63,;7.57,3.12,;6.48,4.21,;4.99,3.81,;-3.56,2.69,;-4.9,1.92,;-4.9,.38,;-6.23,-.39,;-6.23,-1.93,;-4.9,-2.7,;-3.56,-1.93,;-2.23,-2.7,;-.9,-1.93,;.44,-2.7,;.44,-4.24,;1.77,-5.01,;3.1,-4.24,;3.1,-2.7,;1.77,-1.93,;.44,-1.16,;.44,.38,;-3.56,-.39,)| Show InChI InChI=1S/C28H37ClN6O2/c29-24-17-31-27(34-21-6-4-20(5-7-21)33-22-8-12-36-13-9-22)16-23(24)25-2-1-3-26(35-25)32-19-28(18-30)10-14-37-15-11-28/h1-3,16-17,20-22,33H,4-15,19H2,(H,31,34)(H,32,35)/t20-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.000430	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