Found 26 hits of Enzyme Inhibition Constant Data 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)) | BDBM50439637
(CHEMBL2419601)Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034496
(CHEMBL3359261)Show SMILES CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-22(2,3)28-20-17(14-25-28)11-23(12-19(20)29)6-8-27(9-7-23)21(30)15-4-5-18-16(10-15)13-24-26-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,26) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034494
(CHEMBL3359264)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4cc[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C22H25N5O2/c1-14(2)27-20-16(13-25-27)10-22(11-19(20)28)4-7-26(8-5-22)21(29)15-9-18-17(24-12-15)3-6-23-18/h3,6,9,12-14,23H,4-5,7-8,10-11H2,1-2H3 | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Rattus norvegicus (Rat)) | BDBM50034371
(CHEMBL3359265)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat recombinant ACC1 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034371
(CHEMBL3359265)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034495
(CHEMBL3359262)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C22H25N5O2/c1-14(2)27-20-17(13-24-27)10-22(11-19(20)28)5-7-26(8-6-22)21(29)15-3-4-18-16(9-15)12-23-25-18/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,23,25) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034371
(CHEMBL3359265)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034496
(CHEMBL3359261)Show SMILES CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-22(2,3)28-20-17(14-25-28)11-23(12-19(20)29)6-8-27(9-7-23)21(30)15-4-5-18-16(10-15)13-24-26-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,26) | PDB
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034494
(CHEMBL3359264)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4cc[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C22H25N5O2/c1-14(2)27-20-16(13-25-27)10-22(11-19(20)28)4-7-26(8-5-22)21(29)15-9-18-17(24-12-15)3-6-23-18/h3,6,9,12-14,23H,4-5,7-8,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034371
(CHEMBL3359265)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034495
(CHEMBL3359262)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C22H25N5O2/c1-14(2)27-20-17(13-24-27)10-22(11-19(20)28)5-7-26(8-6-22)21(29)15-3-4-18-16(9-15)12-23-25-18/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,23,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034499
(CHEMBL3359259)Show SMILES CC1C(=O)c2nn(cc2OC11CCN(CC1)C(=O)c1ccc2[nH]ncc2c1)C(C)(C)C | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034499
(CHEMBL3359259)Show SMILES CC1C(=O)c2nn(cc2OC11CCN(CC1)C(=O)c1ccc2[nH]ncc2c1)C(C)(C)C | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034371
(CHEMBL3359265)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50439637
(CHEMBL2419601)Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034497
(CHEMBL3359263)Show SMILES CCn1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C21H23N5O2/c1-2-26-19-16(13-23-26)10-21(11-18(19)27)5-7-25(8-6-21)20(28)14-3-4-17-15(9-14)12-22-24-17/h3-4,9,12-13H,2,5-8,10-11H2,1H3,(H,22,24) | 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 | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034497
(CHEMBL3359263)Show SMILES CCn1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C21H23N5O2/c1-2-26-19-16(13-23-26)10-21(11-18(19)27)5-7-25(8-6-21)20(28)14-3-4-17-15(9-14)12-22-24-17/h3-4,9,12-13H,2,5-8,10-11H2,1H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 317 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034499
(CHEMBL3359259)Show SMILES CC1C(=O)c2nn(cc2OC11CCN(CC1)C(=O)c1ccc2[nH]ncc2c1)C(C)(C)C | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 674 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034499
(CHEMBL3359259)Show SMILES CC1C(=O)c2nn(cc2OC11CCN(CC1)C(=O)c1ccc2[nH]ncc2c1)C(C)(C)C | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50034498
(CHEMBL3359260)Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)C(C)(C)C(=O)c2n1 Show InChI InChI=1S/C24H29N5O3/c1-22(2,3)29-14-18-19(27-29)20(30)23(4,5)24(32-18)8-10-28(11-9-24)21(31)15-6-7-17-16(12-15)13-25-26-17/h6-7,12-14H,8-11H2,1-5H3,(H,25,26) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM50034498
(CHEMBL3359260)Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)C(C)(C)C(=O)c2n1 Show InChI InChI=1S/C24H29N5O3/c1-22(2,3)29-14-18-19(27-29)20(30)23(4,5)24(32-18)8-10-28(11-9-24)21(31)15-6-7-17-16(12-15)13-25-26-17/h6-7,12-14H,8-11H2,1-5H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50034496
(CHEMBL3359261)Show SMILES CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-22(2,3)28-20-17(14-25-28)11-23(12-19(20)29)6-8-27(9-7-23)21(30)15-4-5-18-16(10-15)13-24-26-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,26) | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch-clamp assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50034495
(CHEMBL3359262)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C22H25N5O2/c1-14(2)27-20-17(13-24-27)10-22(11-19(20)28)5-7-26(8-6-22)21(29)15-3-4-18-16(9-15)12-23-25-18/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,23,25) | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch-clamp assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50034494
(CHEMBL3359264)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4cc[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C22H25N5O2/c1-14(2)27-20-16(13-25-27)10-22(11-19(20)28)4-7-26(8-5-22)21(29)15-9-18-17(24-12-15)3-6-23-18/h3,6,9,12-14,23H,4-5,7-8,10-11H2,1-2H3 | 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 | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch-clamp assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50439637
(CHEMBL2419601)Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch-clamp assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50034371
(CHEMBL3359265)Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch-clamp assay |
J Med Chem 57: 10512-26 (2014)
Article DOI: 10.1021/jm5016022
BindingDB Entry DOI: 10.7270/Q2SN0BJM |
More data for this
Ligand-Target Pair | |
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