BDBM126537 US8778951, 348

SMILES: Clc1ccc(NCC2CCOCC2)nc1-c1cc(NC2CCC(CC2)NC2CCS(=O)(=O)CC2)ncc1Cl

InChI Key: InChIKey=AIMSOUZQALDLOA-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 = 126537   

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))	BDBM126537 (US8778951, 348) Show SMILES Clc1ccc(NCC2CCOCC2)nc1-c1cc(NC2CCC(CC2)NC2CCS(=O)(=O)CC2)ncc1Cl |(-8,.23,;-6.67,-.54,;-6.67,-2.08,;-5.33,-2.85,;-4,-2.08,;-2.67,-2.85,;-1.33,-2.08,;,-2.85,;,-4.39,;1.33,-5.16,;2.67,-4.39,;2.67,-2.85,;1.33,-2.08,;-4,-.54,;-5.33,.23,;-5.33,1.77,;-4,2.54,;-4,4.08,;-2.67,4.85,;-1.33,4.08,;-1.33,2.54,;,1.77,;1.33,2.54,;1.33,4.08,;,4.85,;2.67,1.77,;4,2.54,;5.33,1.77,;6.67,2.54,;6.67,4.08,;7.76,5.16,;8,3.31,;5.33,4.85,;4,4.08,;-5.33,4.85,;-6.67,4.08,;-6.67,2.54,;-8,1.77,)| Show InChI InChI=1S/C27H37Cl2N5O3S/c28-23-5-6-25(30-16-18-7-11-37-12-8-18)34-27(23)22-15-26(31-17-24(22)29)33-20-3-1-19(2-4-20)32-21-9-13-38(35,36)14-10-21/h5-6,15,17-21,32H,1-4,7-14,16H2,(H,30,34)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00200	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