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BDBM349500 (R,R)-6-[7-(difluoromethyl)-4-methyl-6-(l-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one & (R,S)-6-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one::US10206931, Example 308

SMILES: CN\C=C(/C=N)c1cc2[C@@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12

InChI Key: InChIKey=TVFZSBFYTFXALS-UDWCLMQNSA-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 = 349500   
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
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM349500
PNG
((R,R)-6-[7-(difluoromethyl)-4-methyl-6-(l-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2[C@@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C25H29F2N5O/c1-14-7-8-32(21-6-4-5-20-24(21)30-15(2)9-23(33)31-20)22-11-19(25(26)27)18(10-17(14)22)16(12-28)13-29-3/h4-6,10-15,25,28-30H,7-9H2,1-3H3,(H,31,33)/b16-13+,28-12?/t14-,15+/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.24E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349500
PNG
((R,R)-6-[7-(difluoromethyl)-4-methyl-6-(l-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2[C@@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C25H29F2N5O/c1-14-7-8-32(21-6-4-5-20-24(21)30-15(2)9-23(33)31-20)22-11-19(25(26)27)18(10-17(14)22)16(12-28)13-29-3/h4-6,10-15,25,28-30H,7-9H2,1-3H3,(H,31,33)/b16-13+,28-12?/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair