BindingDB logo
myBDB logout

BDBM50353234 CHEMBL1830537

SMILES: CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C

InChI Key: InChIKey=HRKITJYWVNASHR-PKNBQFBNSA-N

Data: 11 KI  1 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 12 hits for monomerid = 50353234   
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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC1 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC3 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
94n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
227n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair