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SMILES: Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=OWQNTPSDYOZXJM-UHFFFAOYSA-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 7 hits for monomerid = 321462   
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
Chromatin remodeling regulator CECR2 [424-538]


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged TAF1-BD21504-1635 was cloned, expressed, and purified to homogeneity. TAF1-BD2 binding and inhibition was assessed by monitor...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair