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BDBM333418 4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-6-yl]-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one and 4-[6-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-5-yl]-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one::US9737516, Example 14::US9737516, Example 15

SMILES: Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=LCIYRHDMOASNJJ-VUCTXSBTSA-N

Data: 4 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 4 hits for monomerid = 333418   
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 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H20ClFN4O2/c20-13-9-11(1-3-14(13)21)5-6-22-18-19-24-10-15(25(19)8-7-23-18)12-2-4-16(26)17(12)27/h1,3,7-10,12,16-17,26-27H,2,4-6H2,(H,22,23)/t12-,16+,17-/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H20ClFN4O2/c20-13-9-11(1-3-14(13)21)5-6-22-18-19-24-10-15(25(19)8-7-23-18)12-2-4-16(26)17(12)27/h1,3,7-10,12,16-17,26-27H,2,4-6H2,(H,22,23)/t12-,16+,17-/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H20ClFN4O2/c20-13-9-11(1-3-14(13)21)5-6-22-18-19-24-10-15(25(19)8-7-23-18)12-2-4-16(26)17(12)27/h1,3,7-10,12,16-17,26-27H,2,4-6H2,(H,22,23)/t12-,16+,17-/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H20ClFN4O2/c20-13-9-11(1-3-14(13)21)5-6-22-18-19-24-10-15(25(19)8-7-23-18)12-2-4-16(26)17(12)27/h1,3,7-10,12,16-17,26-27H,2,4-6H2,(H,22,23)/t12-,16+,17-/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair