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SMILES: NOc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c1ccccc1

InChI Key: InChIKey=GQQOKRQIUXMKQD-WJONJSRFSA-N

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 2 hits for monomerid = 242888   
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
Neurogenic locus notch homolog protein 3/Recombining binding protein suppressor of hairless


(Homo sapiens (Human))
BDBM242888
PNG
(US9427442, 16)
Show SMILES NOc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c1ccccc1 |r,c:31|
Show InChI InChI=1S/C25H27F4N5O4/c26-13-5-9-15(21(30)35)16(11-12-25(27,28)29)23(36)34-22-24(37)33-20-17(8-4-10-18(20)38-31)19(32-22)14-6-2-1-3-7-14/h1-4,6-8,10,15-16,22H,5,9,11-13,31H2,(H2,30,35)(H,33,37)(H,34,36)/t15-,16+,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.4n/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
Neurogenic locus notch homolog protein 1/Recombining binding protein suppressor of hairless


(Homo sapiens (Human))
BDBM242888
PNG
(US9427442, 16)
Show SMILES NOc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c1ccccc1 |r,c:31|
Show InChI InChI=1S/C25H27F4N5O4/c26-13-5-9-15(21(30)35)16(11-12-25(27,28)29)23(36)34-22-24(37)33-20-17(8-4-10-18(20)38-31)19(32-22)14-6-2-1-3-7-14/h1-4,6-8,10,15-16,22H,5,9,11-13,31H2,(H2,30,35)(H,33,37)(H,34,36)/t15-,16+,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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