Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50007393 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-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062397
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062402
(1N-cyanoimino(tert-pentylamino)methyl-3-azido-4-io...)Show SMILES CCC(C)(C)NC(Nc1ccc(I)c(c1)N=[N+]=[N-])=NC#N |w:18.19| Show InChI InChI=1S/C13H16IN7/c1-4-13(2,3)19-12(17-8-15)18-9-5-6-10(14)11(7-9)20-21-16/h5-7H,4H2,1-3H3,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062394
(1N-cyanoimino(tert-pentylamino)methyl-4-iodoanilin...)Show InChI InChI=1S/C13H17IN4/c1-4-13(2,3)18-12(16-9-15)17-11-7-5-10(14)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062396
(4-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)Show SMILES CC(NC(Nc1ccc(cc1)C#N)=NC#N)C(C)(C)C |w:13.14| Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062398
(4-cyanoimino(tert-pentylamino)methylaminobenzonitr...)Show InChI InChI=1S/C14H17N5/c1-4-14(2,3)19-13(17-10-16)18-12-7-5-11(9-15)6-8-12/h5-8H,4H2,1-3H3,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50240750
(()-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylprop...)Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062393
(3-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)Show SMILES CC(NC(Nc1cccc(c1)C#N)=NC#N)C(C)(C)C |w:13.14| Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-6-12(8-13)9-16/h5-8,11H,1-4H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062399
(4-[tert-butylamino(cyanoimino)methylamino]benzonit...)Show InChI InChI=1S/C13H15N5/c1-13(2,3)18-12(16-9-15)17-11-6-4-10(8-14)5-7-11/h4-7H,1-3H3,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062400
(1N-cyanoimino(1,2,2-trimethylpropylamino)methylani...)Show InChI InChI=1S/C14H20N4/c1-11(14(2,3)4)17-13(16-10-15)18-12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062392
(4-isopropylamino(cyanoimino)methylaminobenzonitril...)Show InChI InChI=1S/C12H13N5/c1-9(2)16-12(15-8-14)17-11-5-3-10(7-13)4-6-11/h3-6,9H,1-2H3,(H2,15,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062395
(1N-cyanoimino(tert-pentylamino)methyl-3-hexahydro-...)Show SMILES CCC(C)(C)NC(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)=NC#N |w:23.25| Show InChI InChI=1S/C18H27N5O2S/c1-4-18(2,3)22-17(20-14-19)21-15-9-8-10-16(13-15)26(24,25)23-11-6-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062391
(1N-cyanoimino(tert-pentylamino)methyl-4-hexahydro-...)Show SMILES CCC(C)(C)NC(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)=NC#N |w:23.25| Show InChI InChI=1S/C18H27N5O2S/c1-4-18(2,3)22-17(20-14-19)21-15-8-10-16(11-9-15)26(24,25)23-12-6-5-7-13-23/h8-11H,4-7,12-13H2,1-3H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062401
(4-methylamino(cyanoimino)methylaminobenzonitrile |...)Show InChI InChI=1S/C10H9N5/c1-13-10(14-7-12)15-9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,13,14,15) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50044253
((3R,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N |r| Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50044253
((3R,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N |r| Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |