BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50042467   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426521
PNG
(CHEMBL2323626)
Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)C2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O2/c1-25(2,3)31-16-19-14-26(15-21(32)23(19)29-31)9-11-30(12-10-26)24(33)18-6-5-17-7-8-22(27-4)28-20(17)13-18/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426523
PNG
(CHEMBL2323628)
Show SMILES COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
Show InChI InChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23)30)6-8-28(9-7-25)24(31)18-10-17-11-20(32-3)4-5-21(17)26-14-18/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50426521
PNG
(CHEMBL2323626)
Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)C2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O2/c1-25(2,3)31-16-19-14-26(15-21(32)23(19)29-31)9-11-30(12-10-26)24(33)18-6-5-17-7-8-22(27-4)28-20(17)13-18/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426524
PNG
(CHEMBL2323629)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C24H27N5O3/c1-14(2)29-21-17(13-26-29)11-24(12-20(21)30)5-7-28(8-6-24)23(32)15-3-4-18-16(9-15)10-19(27-18)22(25)31/h3-4,9-10,13-14,27H,5-8,11-12H2,1-2H3,(H2,25,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50426523
PNG
(CHEMBL2323628)
Show SMILES COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
Show InChI InChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23)30)6-8-28(9-7-25)24(31)18-10-17-11-20(32-3)4-5-21(17)26-14-18/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426522
PNG
(CHEMBL2323627)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4ccc(N)nc4c3)CC(=O)c12
Show InChI InChI=1S/C24H27N5O2/c1-15(2)29-22-18(14-26-29)12-24(13-20(22)30)7-9-28(10-8-24)23(31)17-4-3-16-5-6-21(25)27-19(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50426524
PNG
(CHEMBL2323629)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C24H27N5O3/c1-14(2)29-21-17(13-26-29)11-24(12-20(21)30)5-7-28(8-6-24)23(32)15-3-4-18-16(9-15)10-19(27-18)22(25)31/h3-4,9-10,13-14,27H,5-8,11-12H2,1-2H3,(H2,25,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50426522
PNG
(CHEMBL2323627)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4ccc(N)nc4c3)CC(=O)c12
Show InChI InChI=1S/C24H27N5O2/c1-15(2)29-22-18(14-26-29)12-24(13-20(22)30)7-9-28(10-8-24)23(31)17-4-3-16-5-6-21(25)27-19(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair