Found 168 hits with Last Name = 'funata' and Initial = 'm' 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)) | BDBM50383761
(CHEMBL2030573)Show SMILES CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C26H35N5O4S/c1-16-6-7-18-19(21(29-24(34)27-4)36-20(18)28-16)22(32)30-12-8-17(9-13-30)31-11-5-10-26(15-31)14-25(2,3)35-23(26)33/h6-7,17H,5,8-15H2,1-4H3,(H2,27,29,34)/t26-/m0/s1 | 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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355934
(CHEMBL1910404)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355934
(CHEMBL1910404)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383763
(CHEMBL2030575)Show SMILES CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(=O)N(C(C)C)C2=O)C1 |r| Show InChI InChI=1S/C27H36N6O4S/c1-16(2)33-20(34)14-27(25(33)36)10-5-11-32(15-27)18-8-12-31(13-9-18)24(35)21-19-7-6-17(3)29-22(19)38-23(21)30-26(37)28-4/h6-7,16,18H,5,8-15H2,1-4H3,(H2,28,30,37)/t27-/m0/s1 | 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 | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383762
(CHEMBL2030574)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CCN(C(C)C)C2=O)C1 |r| Show InChI InChI=1S/C28H40N6O3S/c1-5-29-27(37)31-24-22(21-8-7-19(4)30-23(21)38-24)25(35)32-14-9-20(10-15-32)33-13-6-11-28(17-33)12-16-34(18(2)3)26(28)36/h7-8,18,20H,5-6,9-17H2,1-4H3,(H2,29,31,37)/t28-/m0/s1 | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355930
(CHEMBL1910400)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383758
(CHEMBL2030570)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C27H37N5O4S/c1-5-28-25(35)30-22-20(19-8-7-17(2)29-21(19)37-22)23(33)31-13-9-18(10-14-31)32-12-6-11-27(16-32)15-26(3,4)36-24(27)34/h7-8,18H,5-6,9-16H2,1-4H3,(H2,28,30,35) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383744
(CHEMBL2030577)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)N=C(C)N(C(C)C)C2=O |t:34| Show InChI InChI=1S/C28H39N7O3S/c1-6-29-27(38)31-24-22(21-9-8-18(4)30-23(21)39-24)25(36)33-14-10-20(11-15-33)34-13-7-12-28(16-34)26(37)35(17(2)3)19(5)32-28/h8-9,17,20H,6-7,10-16H2,1-5H3,(H2,29,31,38) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383764
(CHEMBL2030576)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)OC(=O)N(C(C)C)C2=O Show InChI InChI=1S/C27H36N6O5S/c1-5-28-25(36)30-22-20(19-8-7-17(4)29-21(19)39-22)23(34)31-13-9-18(10-14-31)32-12-6-11-27(15-32)24(35)33(16(2)3)26(37)38-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H2,28,30,36) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355928
(CHEMBL1910398)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1 Show InChI InChI=1S/C25H32N4O4S/c1-24(2)14-25(22(31)33-24)10-5-11-29(15-25)16-8-12-28(13-9-16)21(30)19-17-6-3-4-7-18(17)34-20(19)27-23(26)32/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,26,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355929
(CHEMBL1910399)Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H34N4O4S/c1-25(2)15-26(23(32)34-25)11-6-12-30(16-26)17-9-13-29(14-10-17)22(31)20-18-7-4-5-8-19(18)35-21(20)28-24(33)27-3/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,27,28,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383757
(CHEMBL2030569)Show SMILES CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H35N5O4S/c1-4-27-24(34)29-21-19(18-7-5-11-28-20(18)36-21)22(32)30-13-8-17(9-14-30)31-12-6-10-26(16-31)15-25(2,3)35-23(26)33/h5,7,11,17H,4,6,8-10,12-16H2,1-3H3,(H2,27,29,34) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383743
(CHEMBL2030578)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(C(C)C)C2=O Show InChI InChI=1S/C27H37N7O4S/c1-5-28-25(37)30-22-20(19-8-7-17(4)29-21(19)39-22)23(35)32-13-9-18(10-14-32)33-12-6-11-27(15-33)24(36)34(16(2)3)26(38)31-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H,31,38)(H2,28,30,37) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383752
(CHEMBL2030564)Show SMILES CCN1C(=O)C2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)N=C1C(C)C |c:36| Show InChI InChI=1S/C27H36N6O3S/c1-4-33-22(17(2)3)30-27(25(33)35)12-7-13-32(16-27)18-10-14-31(15-11-18)24(34)21-19-8-5-6-9-20(19)37-23(21)29-26(28)36/h5-6,8-9,17-18H,4,7,10-16H2,1-3H3,(H3,28,29,36) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383756
(CHEMBL2030568)Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(C(C)C)C2=O)C1 Show InChI InChI=1S/C27H37N5O3S/c1-18(2)32-16-12-27(25(32)34)11-6-13-31(17-27)19-9-14-30(15-10-19)24(33)22-20-7-4-5-8-21(20)36-23(22)29-26(35)28-3/h4-5,7-8,18-19H,6,9-17H2,1-3H3,(H2,28,29,35) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383748
(CHEMBL2030410)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(CC)C2=O Show InChI InChI=1S/C26H34N6O4S/c1-3-27-24(35)28-21-20(18-8-5-6-9-19(18)37-21)22(33)30-14-10-17(11-15-30)31-13-7-12-26(16-31)23(34)32(4-2)25(36)29-26/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3,(H,29,36)(H2,27,28,35) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383745
(CHEMBL2030406)Show SMILES CCN1C(=O)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O Show InChI InChI=1S/C25H31N5O4S/c1-2-30-19(31)14-25(23(30)33)10-5-11-29(15-25)16-8-12-28(13-9-16)22(32)20-17-6-3-4-7-18(17)35-21(20)27-24(26)34/h3-4,6-7,16H,2,5,8-15H2,1H3,(H3,26,27,34) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383759
(CHEMBL2030571)Show SMILES CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H35N5O4S/c1-4-27-24(34)29-21-19(20-18(36-21)7-5-11-28-20)22(32)30-13-8-17(9-14-30)31-12-6-10-26(16-31)15-25(2,3)35-23(26)33/h5,7,11,17H,4,6,8-10,12-16H2,1-3H3,(H2,27,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383746
(CHEMBL2030407)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(=O)N(CC)C2=O)C1 Show InChI InChI=1S/C27H35N5O4S/c1-3-28-26(36)29-23-22(19-8-5-6-9-20(19)37-23)24(34)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-21(33)32(4-2)25(27)35/h5-6,8-9,18H,3-4,7,10-17H2,1-2H3,(H2,28,29,36) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50355934
(CHEMBL1910404)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50355934
(CHEMBL1910404)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383755
(CHEMBL2030567)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(CC)C2=O)C1 Show InChI InChI=1S/C27H37N5O3S/c1-3-28-26(35)29-23-22(20-8-5-6-9-21(20)36-23)24(33)31-15-10-19(11-16-31)32-14-7-12-27(18-32)13-17-30(4-2)25(27)34/h5-6,8-9,19H,3-4,7,10-18H2,1-2H3,(H2,28,29,35) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50189617
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r| Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383760
(CHEMBL2030572)Show SMILES CCNC(=O)Nc1sc2nccnc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C25H34N6O4S/c1-4-26-23(34)29-19-17(18-20(36-19)28-10-9-27-18)21(32)30-12-6-16(7-13-30)31-11-5-8-25(15-31)14-24(2,3)35-22(25)33/h9-10,16H,4-8,11-15H2,1-3H3,(H2,26,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383742
(CHEMBL2030409)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)OC(=O)N(CC)C2=O Show InChI InChI=1S/C26H33N5O5S/c1-3-27-24(34)28-21-20(18-8-5-6-9-19(18)37-21)22(32)29-14-10-17(11-15-29)30-13-7-12-26(16-30)23(33)31(4-2)25(35)36-26/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3,(H2,27,28,34) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383751
(CHEMBL2030563)Show SMILES CCN1C(CC)=NC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O |c:5| Show InChI InChI=1S/C26H34N6O3S/c1-3-20-29-26(24(34)32(20)4-2)12-7-13-31(16-26)17-10-14-30(15-11-17)23(33)21-18-8-5-6-9-19(18)36-22(21)28-25(27)35/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3,(H3,27,28,35) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355923
(CHEMBL1910393)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1 Show InChI InChI=1S/C30H34N2O3/c1-29(2)19-30(28(34)35-29)14-7-15-32(20-30)23-12-16-31(17-13-23)27(33)26-24-10-5-3-8-21(24)18-22-9-4-6-11-25(22)26/h3-6,8-11,18,23H,7,12-17,19-20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355931
(CHEMBL1910401)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(=O)NC3CCCCC3)sc3ccccc23)C(=O)O1 Show InChI InChI=1S/C31H42N4O4S/c1-30(2)19-31(28(37)39-30)15-8-16-35(20-31)22-13-17-34(18-14-22)27(36)25-23-11-6-7-12-24(23)40-26(25)33-29(38)32-21-9-4-3-5-10-21/h6-7,11-12,21-22H,3-5,8-10,13-20H2,1-2H3,(H2,32,33,38) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383761
(CHEMBL2030573)Show SMILES CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C26H35N5O4S/c1-16-6-7-18-19(21(29-24(34)27-4)36-20(18)28-16)22(32)30-12-8-17(9-13-30)31-11-5-10-26(15-31)14-25(2,3)35-23(26)33/h6-7,17H,5,8-15H2,1-4H3,(H2,27,29,34)/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383747
(CHEMBL2030408)Show SMILES CCN1C(=O)OC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O Show InChI InChI=1S/C24H29N5O5S/c1-2-29-21(31)24(34-23(29)33)10-5-11-28(14-24)15-8-12-27(13-9-15)20(30)18-16-6-3-4-7-17(16)35-19(18)26-22(25)32/h3-4,6-7,15H,2,5,8-14H2,1H3,(H3,25,26,32) | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383749
(CHEMBL2030411)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)N(C)C(=O)N(CC)C2=O Show InChI InChI=1S/C27H36N6O4S/c1-4-28-25(36)29-22-21(19-9-6-7-10-20(19)38-22)23(34)31-15-11-18(12-16-31)32-14-8-13-27(17-32)24(35)33(5-2)26(37)30(27)3/h6-7,9-10,18H,4-5,8,11-17H2,1-3H3,(H2,28,29,36) | 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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50355930
(CHEMBL1910400)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383754
(CHEMBL2030566)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(C)C2=O)C1 Show InChI InChI=1S/C26H35N5O3S/c1-3-27-25(34)28-22-21(19-7-4-5-8-20(19)35-22)23(32)30-14-9-18(10-15-30)31-13-6-11-26(17-31)12-16-29(2)24(26)33/h4-5,7-8,18H,3,6,9-17H2,1-2H3,(H2,27,28,34) | 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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383750
(CHEMBL2030562)Show SMILES CCN1C(C)=NC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O |c:4| Show InChI InChI=1S/C25H32N6O3S/c1-3-31-16(2)28-25(23(31)33)11-6-12-30(15-25)17-9-13-29(14-10-17)22(32)20-18-7-4-5-8-19(18)35-21(20)27-24(26)34/h4-5,7-8,17H,3,6,9-15H2,1-2H3,(H3,26,27,34) | 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 | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383744
(CHEMBL2030577)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)N=C(C)N(C(C)C)C2=O |t:34| Show InChI InChI=1S/C28H39N7O3S/c1-6-29-27(38)31-24-22(21-9-8-18(4)30-23(21)39-24)25(36)33-14-10-20(11-15-33)34-13-7-12-28(16-34)26(37)35(17(2)3)19(5)32-28/h8-9,17,20H,6-7,10-16H2,1-5H3,(H2,29,31,38) | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383758
(CHEMBL2030570)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C27H37N5O4S/c1-5-28-25(35)30-22-20(19-8-7-17(2)29-21(19)37-22)23(33)31-13-9-18(10-14-31)32-12-6-11-27(16-32)15-26(3,4)36-24(27)34/h7-8,18H,5-6,9-16H2,1-4H3,(H2,28,30,35) | PDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50383753
(CHEMBL2030565)Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCNC2=O)C1 Show InChI InChI=1S/C25H33N5O3S/c1-2-26-24(33)28-21-20(18-6-3-4-7-19(18)34-21)22(31)29-14-8-17(9-15-29)30-13-5-10-25(16-30)11-12-27-23(25)32/h3-4,6-7,17H,2,5,8-16H2,1H3,(H,27,32)(H2,26,28,33) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383752
(CHEMBL2030564)Show SMILES CCN1C(=O)C2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)N=C1C(C)C |c:36| Show InChI InChI=1S/C27H36N6O3S/c1-4-33-22(17(2)3)30-27(25(33)35)12-7-13-32(16-27)18-10-14-31(15-11-18)24(34)21-19-8-5-6-9-20(19)37-23(21)29-26(28)36/h5-6,8-9,17-18H,4,7,10-16H2,1-3H3,(H3,28,29,36) | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50355928
(CHEMBL1910398)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1 Show InChI InChI=1S/C25H32N4O4S/c1-24(2)14-25(22(31)33-24)10-5-11-29(15-25)16-8-12-28(13-9-16)21(30)19-17-6-3-4-7-18(17)34-20(19)27-23(26)32/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,26,27,32) | PDB
KEGG
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383762
(CHEMBL2030574)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CCN(C(C)C)C2=O)C1 |r| Show InChI InChI=1S/C28H40N6O3S/c1-5-29-27(37)31-24-22(21-8-7-19(4)30-23(21)38-24)25(35)32-14-9-20(10-15-32)33-13-6-11-28(17-33)12-16-34(18(2)3)26(28)36/h7-8,18,20H,5-6,9-17H2,1-4H3,(H2,29,31,37)/t28-/m0/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50355929
(CHEMBL1910399)Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H34N4O4S/c1-25(2)15-26(23(32)34-25)11-6-12-30(16-26)17-9-13-29(14-10-17)22(31)20-18-7-4-5-8-19(18)35-21(20)28-24(33)27-3/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,27,28,33) | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355927
(CHEMBL1910397)Show SMILES CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H33N3O4S/c1-17(30)27-22-21(19-7-4-5-8-20(19)34-22)23(31)28-13-9-18(10-14-28)29-12-6-11-26(16-29)15-25(2,3)33-24(26)32/h4-5,7-8,18H,6,9-16H2,1-3H3,(H,27,30) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355917
(CHEMBL1910387)Show SMILES CCN(CC)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C30H37N3O2/c1-3-31(4-2)29(34)24-12-9-17-33(21-24)25-15-18-32(19-16-25)30(35)28-26-13-7-5-10-22(26)20-23-11-6-8-14-27(23)28/h5-8,10-11,13-14,20,24-25H,3-4,9,12,15-19,21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355922
(CHEMBL1910392)Show SMILES CC1CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1 Show InChI InChI=1S/C29H32N2O3/c1-20-18-29(28(33)34-20)13-6-14-31(19-29)23-11-15-30(16-12-23)27(32)26-24-9-4-2-7-21(24)17-22-8-3-5-10-25(22)26/h2-5,7-10,17,20,23H,6,11-16,18-19H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383757
(CHEMBL2030569)Show SMILES CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H35N5O4S/c1-4-27-24(34)29-21-19(18-7-5-11-28-20(18)36-21)22(32)30-13-8-17(9-14-30)31-12-6-10-26(16-31)15-25(2,3)35-23(26)33/h5,7,11,17H,4,6,8-10,12-16H2,1-3H3,(H2,27,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383756
(CHEMBL2030568)Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(C(C)C)C2=O)C1 Show InChI InChI=1S/C27H37N5O3S/c1-18(2)32-16-12-27(25(32)34)11-6-13-31(17-27)19-9-14-30(15-10-19)24(33)22-20-7-4-5-8-21(20)36-23(22)29-26(35)28-3/h4-5,7-8,18-19H,6,9-17H2,1-3H3,(H2,28,29,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50355920
(CHEMBL1910390)Show SMILES CCN1CCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O Show InChI InChI=1S/C30H35N3O2/c1-2-31-19-15-30(29(31)35)14-7-16-33(21-30)24-12-17-32(18-13-24)28(34)27-25-10-5-3-8-22(25)20-23-9-4-6-11-26(23)27/h3-6,8-11,20,24H,2,7,12-19,21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383759
(CHEMBL2030571)Show SMILES CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H35N5O4S/c1-4-27-24(34)29-21-19(20-18(36-21)7-5-11-28-20)22(32)30-13-8-17(9-14-30)31-12-6-10-26(16-31)15-25(2,3)35-23(26)33/h5,7,11,17H,4,6,8-10,12-16H2,1-3H3,(H2,27,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383760
(CHEMBL2030572)Show SMILES CCNC(=O)Nc1sc2nccnc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C25H34N6O4S/c1-4-26-23(34)29-19-17(18-20(36-19)28-10-9-27-18)21(32)30-12-6-16(7-13-30)31-11-5-8-25(15-31)14-24(2,3)35-22(25)33/h9-10,16H,4-8,11-15H2,1-3H3,(H2,26,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50383743
(CHEMBL2030578)Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(C(C)C)C2=O Show InChI InChI=1S/C27H37N7O4S/c1-5-28-25(37)30-22-20(19-8-7-17(4)29-21(19)39-22)23(35)32-13-9-18(10-14-32)33-12-6-11-27(15-33)24(36)34(16(2)3)26(38)31-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H,31,38)(H2,28,30,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as... |
Bioorg Med Chem Lett 22: 3643-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.047
BindingDB Entry DOI: 10.7270/Q2VM4D8N |
More data for this
Ligand-Target Pair | |
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