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BDBM318841 6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(1H)-one::US9624247, Example 3

SMILES: Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZBIYSSHSZQVNSP-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 = 318841   
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


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<11n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.70E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<11n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair