Found 12 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 |
|---|
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121348
(CHEMBL3622114)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1cnc(cn1)C#N |r| Show InChI InChI=1S/C25H29N5O3/c1-17-19(2-3-20-21(17)16-33-24(20)32)22(31)15-29-8-4-25(5-9-29)6-10-30(11-7-25)23-14-27-18(12-26)13-28-23/h2-3,13-14,22,31H,4-11,15-16H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121344
(CHEMBL3622105 | US9751881, Example 3)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121355
(CHEMBL3622112 | US9751881, Example 81)Show SMILES Cc1cc(cnc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C26H30N4O3/c1-17-11-19(13-28-23(17)12-27)30-10-7-26(16-30)5-8-29(9-6-26)14-24(31)20-3-4-21-22(18(20)2)15-33-25(21)32/h3-4,11,13,24,31H,5-10,14-16H2,1-2H3/t24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121345
(CHEMBL3622104 | US9751881, Example 1)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-18(3-4-19-20(16)14-33-24(19)32)21(30)13-28-8-6-25(7-9-28)10-23(31)29(15-25)22-5-2-17(11-26)12-27-22/h2-5,12,21,30H,6-10,13-15H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121363
(CHEMBL3622106 | US9751881, Example 4)Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 Show InChI InChI=1S/C25H26N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)6-9-28-10-7-25(8-11-28)12-23(30)29(16-25)22-5-2-18(13-26)14-27-22/h2-5,14H,6-12,15-16H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121346
(CHEMBL3622115)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(nn1)C#N |r| Show InChI InChI=1S/C25H29N5O3/c1-17-19(3-4-20-21(17)16-33-24(20)32)22(31)15-29-10-6-25(7-11-29)8-12-30(13-9-25)23-5-2-18(14-26)27-28-23/h2-5,22,31H,6-13,15-16H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121349
(CHEMBL3622113)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ncc(cn1)C#N |r| Show InChI InChI=1S/C25H29N5O3/c1-17-19(2-3-20-21(17)16-33-23(20)32)22(31)15-29-8-4-25(5-9-29)6-10-30(11-7-25)24-27-13-18(12-26)14-28-24/h2-3,13-14,22,31H,4-11,15-16H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121362
(CHEMBL3622107 | US9751881, Example 9)Show SMILES Cc1nc(ccc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C26H30N4O3/c1-17-20(4-5-21-22(17)15-33-25(21)32)23(31)14-29-10-7-26(8-11-29)9-12-30(16-26)24-6-3-19(13-27)18(2)28-24/h3-6,23,31H,7-12,14-16H2,1-2H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121358
(CHEMBL3622111)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](N)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H27N5O3/c1-16-18(3-4-19-20(16)14-33-24(19)32)21(27)13-29-8-6-25(7-9-29)10-23(31)30(15-25)22-5-2-17(11-26)12-28-22/h2-5,12,21H,6-10,13-15,27H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121359
(CHEMBL3622110)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cc2)C#N)CC1 |r| Show InChI InChI=1S/C26H29N3O3/c1-18-21(6-7-22-23(18)16-32-25(22)31)24(30)15-28-11-8-26(9-12-28)10-13-29(17-26)20-4-2-19(14-27)3-5-20/h2-7,24,30H,8-13,15-17H2,1H3/t24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121361
(CHEMBL3622108 | US9751881, Example 10)Show SMILES Cc1cc(ncc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C26H30N4O3/c1-17-11-24(28-13-19(17)12-27)30-10-7-26(16-30)5-8-29(9-6-26)14-23(31)20-3-4-21-22(18(20)2)15-33-25(21)32/h3-4,11,13,23,31H,5-10,14-16H2,1-2H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121360
(CHEMBL3622109 | US9751881, Example 11)Show SMILES Cc1cc(cnc1N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2)C#N |r| Show InChI InChI=1S/C26H30N4O3/c1-17-11-19(12-27)13-28-24(17)30-10-7-26(16-30)5-8-29(9-6-26)14-23(31)20-3-4-21-22(18(20)2)15-33-25(21)32/h3-4,11,13,23,31H,5-10,14-16H2,1-2H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay |
ACS Med Chem Lett 6: 831-3 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00227
BindingDB Entry DOI: 10.7270/Q2377BHG |
More data for this
Ligand-Target Pair | |
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