BindingDB logo
myBDB logout

BDBM50456444 CHEMBL3734823

SMILES: CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=HEKJYZZSCQBJGB-XDHOZWIPSA-N

Data: 1 KI  8 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 9 hits for monomerid = 50456444   
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
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
400n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of VMA intein chitin binding domain-fused p300 HAT domain (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)...


Eur J Med Chem 138: 320-327 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.037
BindingDB Entry DOI: 10.7270/Q2ZW1PHN
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin)


Bioorg Med Chem 26: 5397-5407 (2018)


Article DOI: 10.1016/j.bmc.2018.07.048
BindingDB Entry DOI: 10.7270/Q2ZW1PM0
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.31E+11n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev...


Eur J Med Chem 105: 289-96 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.016
BindingDB Entry DOI: 10.7270/Q2TT4TXW
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) (1287 to 1652 residues) expressed in Escherichia coli BL21(RIL)-DE3 cells using [12C]-acetyl-CoA/[14C]-acetyl-CoA...


Eur J Med Chem 178: 259-286 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.078
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of P300 BHC domain (unknown origin)


Eur J Med Chem 178: 259-286 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.078
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of CBP BHC domain (unknown origin)


Eur J Med Chem 178: 259-286 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.078
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of P300 (1287 to 1652 residues) VMA intein chitin binding domain (unknown origin) expressed in Escherichia coli BL21(RIL)-D...


Eur J Med Chem 178: 259-286 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.078
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of p300 (unknown origin) using H3 peptide and acetyl-coA as substrate by fluorometric assay


Eur J Med Chem 138: 320-327 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.037
BindingDB Entry DOI: 10.7270/Q2ZW1PHN
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50456444
PNG
(CHEMBL3734823)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Histone acetyltransferase p300 catalytic domain (1284-1672 residues) using [3H]Acetyl-CoA and histone H3 substrate at...


Eur J Med Chem 105: 289-96 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.016
BindingDB Entry DOI: 10.7270/Q2TT4TXW
More data for this
Ligand-Target Pair