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BDBM242881 US9427442, 9

SMILES: Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1cccc(F)c1

InChI Key: InChIKey=HMKRFXHMAJMWSE-LJFZDNNRSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242881   
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
Notch 3-CBF1


(Homo sapiens (Human))
BDBM242881
PNG
(US9427442, 9)
Show SMILES Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1cccc(F)c1 |r,c:34|
Show InChI InChI=1S/C28H28F6N4O3/c1-14-4-2-7-19-21(14)37-26(41)24(36-22(19)16-5-3-6-17(29)11-16)38-25(40)18(8-9-28(32,33)34)20(23(35)39)10-15-12-27(30,31)13-15/h2-7,11,15,18,20,24H,8-10,12-13H2,1H3,(H2,35,39)(H,37,41)(H,38,40)/t18-,20+,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...


US Patent US9427442 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP452P
More data for this
Ligand-Target Pair
Notch 1-CBF1


(Homo sapiens (Human))
BDBM242881
PNG
(US9427442, 9)
Show SMILES Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1cccc(F)c1 |r,c:34|
Show InChI InChI=1S/C28H28F6N4O3/c1-14-4-2-7-19-21(14)37-26(41)24(36-22(19)16-5-3-6-17(29)11-16)38-25(40)18(8-9-28(32,33)34)20(23(35)39)10-15-12-27(30,31)13-15/h2-7,11,15,18,20,24H,8-10,12-13H2,1H3,(H2,35,39)(H,37,41)(H,38,40)/t18-,20+,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...


US Patent US9427442 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP452P
More data for this
Ligand-Target Pair