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BDBM209895 US9273014, 24

SMILES: NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(C3CC3)c2NC1=O

InChI Key: InChIKey=UGHSMELYSLKUPL-XLNZFTOWSA-N

Data: 2 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 2 hits for monomerid = 209895   
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 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM209895
PNG
(US9273014, 24)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(C3CC3)c2NC1=O |r,t:21|
Show InChI InChI=1S/C28H28F6N4O3/c29-27(30,31)13-11-18(23(35)39)19(12-14-28(32,33)34)25(40)38-24-26(41)37-22-17(15-9-10-15)7-4-8-20(22)21(36-24)16-5-2-1-3-6-16/h1-8,15,18-19,24H,9-14H2,(H2,35,39)(H,37,41)(H,38,40)/t18-,19+,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The pharmacological properties of the compounds of this invention may be confirmed by a number of biological assays.


US Patent US9273014 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5DVX
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM209895
PNG
(US9273014, 24)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(C3CC3)c2NC1=O |r,t:21|
Show InChI InChI=1S/C28H28F6N4O3/c29-27(30,31)13-11-18(23(35)39)19(12-14-28(32,33)34)25(40)38-24-26(41)37-22-17(15-9-10-15)7-4-8-20(22)21(36-24)16-5-2-1-3-6-16/h1-8,15,18-19,24H,9-14H2,(H2,35,39)(H,37,41)(H,38,40)/t18-,19+,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The pharmacological properties of the compounds of this invention may be confirmed by a number of biological assays.


US Patent US9273014 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5DVX
More data for this
Ligand-Target Pair