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BDBM321463 6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpholine-4-carbonyl)phenyl)-1H-pyrrolo[2,3-c]pyridin-7(6H)-one::US10183009, Example 55

SMILES: FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1

InChI Key: InChIKey=HVFFRODVHZGRAZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 321463   
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))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10E+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
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 960n/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
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/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))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/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 4


(Homo sapiens (Human))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/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