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BDBM333422 4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidazol-6-yl]-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one and 4-[6-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidazol-5-yl]-6-methyl-1,6-dihydro-7H-pyrrolo-[2,3-c]pyridin-7-one::US9737516, Example 18::US9737516, Example 19

SMILES: CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=QWEDVDMDABEDOR-MCIONIFRSA-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 = 333422   
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))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17Cl2N5O2/c18-10-5-9(6-11(19)7-10)8-21-15-17-23-22-16(24(17)4-3-20-15)12-1-2-13(25)14(12)26/h3-7,12-14,25-26H,1-2,8H2,(H,20,21)/t12-,13-,14+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17Cl2N5O2/c18-10-5-9(6-11(19)7-10)8-21-15-17-23-22-16(24(17)4-3-20-15)12-1-2-13(25)14(12)26/h3-7,12-14,25-26H,1-2,8H2,(H,20,21)/t12-,13-,14+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17Cl2N5O2/c18-10-5-9(6-11(19)7-10)8-21-15-17-23-22-16(24(17)4-3-20-15)12-1-2-13(25)14(12)26/h3-7,12-14,25-26H,1-2,8H2,(H,20,21)/t12-,13-,14+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17Cl2N5O2/c18-10-5-9(6-11(19)7-10)8-21-15-17-23-22-16(24(17)4-3-20-15)12-1-2-13(25)14(12)26/h3-7,12-14,25-26H,1-2,8H2,(H,20,21)/t12-,13-,14+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair