BindingDB logo
myBDB logout

BDBM126507 US8778951, 318

SMILES: N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)c(F)cc1F

InChI Key: InChIKey=XZZAVRWLEDOHCH-SHTZXODSSA-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 = 126507   
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))		BDBM126507
PNG
(US8778951, 318)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)c(F)cc1F |r,wU:1.0,wD:4.7,(5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-2.67,-4.23,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
Show InChI InChI=1S/C22H28ClF2N5O/c23-17-12-27-20(29-15-3-1-14(26)2-4-15)9-16(17)21-18(24)10-19(25)22(30-21)28-11-13-5-7-31-8-6-13/h9-10,12-15H,1-8,11,26H2,(H,27,29)(H,28,30)/t14-,15-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.000260n/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