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BDBM343476 US10442803, Example 75::US9777003, Example 75

SMILES: Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCN2CCOCC2)cn1

InChI Key: InChIKey=CNWNHQXUHPYIPP-UHFFFAOYSA-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 = 343476   
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
BRD4 - BD1


(Homo sapiens (Human))
BDBM343476
PNG
(US10442803, Example 75 | US9777003, Example 75)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCN2CCOCC2)cn1
Show InChI InChI=1S/C25H27N7O/c1-19-27-28-25-8-7-22-24(32(19)25)15-23(31(22)16-20-5-3-2-4-6-20)21-17-30(18-26-21)10-9-29-11-13-33-14-12-29/h2-8,15,17-18H,9-14,16H2,1H3
PDB

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 US9777003 (2017)


BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343476
PNG
(US10442803, Example 75 | US9777003, Example 75)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCN2CCOCC2)cn1
Show InChI InChI=1S/C25H27N7O/c1-19-27-28-25-8-7-22-24(32(19)25)15-23(31(22)16-20-5-3-2-4-6-20)21-17-30(18-26-21)10-9-29-11-13-33-14-12-29/h2-8,15,17-18H,9-14,16H2,1H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/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 US10442803 (2019)


BindingDB Entry DOI: 10.7270/Q2X069DC
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343476
PNG
(US10442803, Example 75 | US9777003, Example 75)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCN2CCOCC2)cn1
Show InChI InChI=1S/C25H27N7O/c1-19-27-28-25-8-7-22-24(32(19)25)15-23(31(22)16-20-5-3-2-4-6-20)21-17-30(18-26-21)10-9-29-11-13-33-14-12-29/h2-8,15,17-18H,9-14,16H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/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 US10442803 (2019)


BindingDB Entry DOI: 10.7270/Q2X069DC
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343476
PNG
(US10442803, Example 75 | US9777003, Example 75)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCN2CCOCC2)cn1
Show InChI InChI=1S/C25H27N7O/c1-19-27-28-25-8-7-22-24(32(19)25)15-23(31(22)16-20-5-3-2-4-6-20)21-17-30(18-26-21)10-9-29-11-13-33-14-12-29/h2-8,15,17-18H,9-14,16H2,1H3
PDB

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 US9777003 (2017)


BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair