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SMILES: Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=SNIKOFNWYKITGY-UHFFFAOYSA-N

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 = 318859   
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))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/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))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.60E+3n/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))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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))
BDBM318859
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,4-dimethyl-1...)
Show SMILES Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN8O/c1-14-12-18(13-19-22(14)29-31-32(19)2)34-24(16-6-8-17(27)9-7-16)25-21(26(34)36)23(15-4-5-15)30-35(25)20-10-11-28-33(20)3/h6-13,15,24H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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