BindingDB logo
myBDB logout

BDBM126535 US8778951, 346

SMILES: CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@@H](CC3)NC3CCS(=O)(=O)CC3)ncc2Cl)CCOCC1

InChI Key: InChIKey=FFHHBMZPTFDRDJ-MXVIHJGJSA-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 = 126535   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cyclin-T1


(Homo sapiens (Human))		BDBM126535
PNG
(US8778951, 346)
Show SMILES CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@@H](CC3)NC3CCS(=O)(=O)CC3)ncc2Cl)CCOCC1 |r,wU:18.22,wD:15.15,(-.1,-1.44,;-.1,-2.98,;-1.44,-2.21,;-2.77,-2.98,;-4.1,-2.21,;-4.1,-.67,;-5.44,.1,;-6.77,-.67,;-6.77,-2.21,;-5.44,-2.98,;-5.44,-4.52,;-5.44,1.64,;-4.1,2.41,;-4.1,3.95,;-2.77,4.72,;-1.44,3.95,;-1.44,2.41,;-.1,1.64,;1.23,2.41,;1.23,3.95,;-.1,4.72,;2.56,1.64,;3.9,2.41,;5.23,1.64,;6.57,2.41,;6.57,3.95,;8.11,3.95,;7.34,5.29,;5.23,4.72,;3.9,3.95,;-5.44,4.72,;-6.77,3.95,;-6.77,2.41,;-8.11,1.64,;-.1,-4.52,;1.23,-5.29,;2.56,-4.52,;2.56,-2.98,;1.23,-2.21,)|
Show InChI InChI=1S/C28H39ClFN5O3S/c1-28(10-12-38-13-11-28)18-32-27-24(30)6-7-25(35-27)22-16-26(31-17-23(22)29)34-20-4-2-19(3-5-20)33-21-8-14-39(36,37)15-9-21/h6-7,16-17,19-21,33H,2-5,8-15,18H2,1H3,(H,31,34)(H,32,35)/t19-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.00100n/an/an/an/an/an/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