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BDBM243265 7-((4,4-difluoro-1- piperidinyl)carbonyl)-3- (3,5-dimethyl-4-isoxazolyl)- 9-(methylsulfonyl)-9H- carbazole-1-carboxamide::US10053454, Example 9::US10196387, Example 9

SMILES: Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O

InChI Key: InChIKey=CBEZUJWFXIOVQN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 243265   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243265
PNG
(7-((4,4-difluoro-1- piperidinyl)carbonyl)-3- (3,5-...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H24F2N4O5S/c1-13-21(14(2)36-29-13)16-10-18-17-5-4-15(24(33)30-8-6-25(26,27)7-9-30)12-20(17)31(37(3,34)35)22(18)19(11-16)23(28)32/h4-5,10-12H,6-9H2,1-3H3,(H2,28,32)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10053454 (2018)


BindingDB Entry DOI: 10.7270/Q2C24ZFN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243265
PNG
(7-((4,4-difluoro-1- piperidinyl)carbonyl)-3- (3,5-...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H24F2N4O5S/c1-13-21(14(2)36-29-13)16-10-18-17-5-4-15(24(33)30-8-6-25(26,27)7-9-30)12-20(17)31(37(3,34)35)22(18)19(11-16)23(28)32/h4-5,10-12H,6-9H2,1-3H3,(H2,28,32)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q26112DD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243265
PNG
(7-((4,4-difluoro-1- piperidinyl)carbonyl)-3- (3,5-...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H24F2N4O5S/c1-13-21(14(2)36-29-13)16-10-18-17-5-4-15(24(33)30-8-6-25(26,27)7-9-30)12-20(17)31(37(3,34)35)22(18)19(11-16)23(28)32/h4-5,10-12H,6-9H2,1-3H3,(H2,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair