Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50042467 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50426521
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50426523
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50426521
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50426524
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50426523
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50426522
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50426524
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50426522
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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