Found 50 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194574
(CHEMBL385738 | N'-[3-(2-dimethylamino-ethoxy)-2-ph...)Show SMILES COC(=O)N(NC(=O)c1c(OCCN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N4O4/c1-31(2)18-19-36-26-24(27(33)30-32(28(34)35-3)21-14-8-5-9-15-21)22-16-10-11-17-23(22)29-25(26)20-12-6-4-7-13-20/h4-17H,18-19H2,1-3H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194554
(CHEMBL374438 | N'-[3-(4-methyl-piperazin-1-ylmethy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H31N5O3/c1-33-17-19-34(20-18-33)21-25-27(29(36)32-35(30(37)38-2)23-13-7-4-8-14-23)24-15-9-10-16-26(24)31-28(25)22-11-5-3-6-12-22/h3-16H,17-21H2,1-2H3,(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194557
(CHEMBL221238 | N-phenyl-N'-{2-phenyl-3-[4-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCSCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H37N5O3S/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194563
(CHEMBL222072 | N-phenyl-N'-(2-phenyl-3-piperidin-4...)Show SMILES COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30N4O3/c1-37-30(36)34(23-12-6-3-7-13-23)33-29(35)27-24-14-8-9-15-26(24)32-28(22-10-4-2-5-11-22)25(27)20-21-16-18-31-19-17-21/h2-15,21,31H,16-20H2,1H3,(H,33,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194564
(CHEMBL374307 | N'-[3-(4-benzyl-piperazin-1-ylmethy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H35N5O3/c1-44-36(43)41(29-17-9-4-10-18-29)38-35(42)33-30-19-11-12-20-32(30)37-34(28-15-7-3-8-16-28)31(33)26-40-23-21-39(22-24-40)25-27-13-5-2-6-14-27/h2-20H,21-26H2,1H3,(H,38,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194568
(CHEMBL221299 | N-phenyl-N'-(2-phenyl-3-piperazin-1...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H29N5O3/c1-37-29(36)34(22-12-6-3-7-13-22)32-28(35)26-23-14-8-9-15-25(23)31-27(21-10-4-2-5-11-21)24(26)20-33-18-16-30-17-19-33/h2-15,30H,16-20H2,1H3,(H,32,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194566
(CHEMBL218639 | N'-[3-(4-isopropyl-piperazin-1-ylme...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H35N5O3/c1-23(2)36-20-18-35(19-21-36)22-27-29(31(38)34-37(32(39)40-3)25-14-8-5-9-15-25)26-16-10-11-17-28(26)33-30(27)24-12-6-4-7-13-24/h4-17,23H,18-22H2,1-3H3,(H,34,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194567
(CHEMBL221237 | N'-[3-(4-cyclohexyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H39N5O3/c1-43-35(42)40(28-17-9-4-10-18-28)37-34(41)32-29-19-11-12-20-31(29)36-33(26-13-5-2-6-14-26)30(32)25-38-21-23-39(24-22-38)27-15-7-3-8-16-27/h2,4-6,9-14,17-20,27H,3,7-8,15-16,21-25H2,1H3,(H,37,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194573
(CHEMBL375419 | N'-{8-fluoro-3-[4-(1-methyl-cyclohe...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCCCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H40FN5O3/c1-36(19-10-5-11-20-36)41-23-21-40(22-24-41)25-29-31(34(43)39-42(35(44)45-2)27-15-8-4-9-16-27)28-17-12-18-30(37)33(28)38-32(29)26-13-6-3-7-14-26/h3-4,6-9,12-18H,5,10-11,19-25H2,1-2H3,(H,39,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194553
(CHEMBL222078 | N'-[3-(4-benzenesulfonyl-piperazin-...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H33N5O5S/c1-45-35(42)40(27-15-7-3-8-16-27)37-34(41)32-29-19-11-12-20-31(29)36-33(26-13-5-2-6-14-26)30(32)25-38-21-23-39(24-22-38)46(43,44)28-17-9-4-10-18-28/h2-20H,21-25H2,1H3,(H,37,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194572
(CHEMBL426714 | N'-[3-(1-tert-butyl-piperidin-4-ylo...)Show SMILES COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C(C)(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36N4O4/c1-33(2,3)36-21-19-25(20-22-36)41-30-28(31(38)35-37(32(39)40-4)24-15-9-6-10-16-24)26-17-11-12-18-27(26)34-29(30)23-13-7-5-8-14-23/h5-18,25H,19-22H2,1-4H3,(H,35,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194569
(CHEMBL221077 | N-phenyl-N'-(2-phenyl-3-piperidin-1...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30N4O3/c1-37-30(36)34(23-15-7-3-8-16-23)32-29(35)27-24-17-9-10-18-26(24)31-28(22-13-5-2-6-14-22)25(27)21-33-19-11-4-12-20-33/h2-3,5-10,13-18H,4,11-12,19-21H2,1H3,(H,32,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194570
(CHEMBL220963 | N-phenyl-N'-{2-phenyl-3-[4-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H37N5O4/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194571
(CHEMBL221444 | N-phenyl-N'-{2-phenyl-3-[1-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H38N4O4/c1-42-35(41)39(28-12-6-3-7-13-28)37-34(40)32-29-14-8-9-15-31(29)36-33(26-10-4-2-5-11-26)30(32)24-25-16-20-38(21-17-25)27-18-22-43-23-19-27/h2-15,25,27H,16-24H2,1H3,(H,37,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194562
(CHEMBL375222 | N'-(8-fluoro-2-phenyl-3-piperazin-1...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H28FN5O3/c1-38-29(37)35(21-11-6-3-7-12-21)33-28(36)25-22-13-8-14-24(30)27(22)32-26(20-9-4-2-5-10-20)23(25)19-34-17-15-31-16-18-34/h2-14,31H,15-19H2,1H3,(H,33,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194559
(CHEMBL218321 | N-phenyl-N'-{2-phenyl-3-[1-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H36N4O5/c1-41-34(40)38(26-12-6-3-7-13-26)36-33(39)30-28-14-8-9-15-29(28)35-31(24-10-4-2-5-11-24)32(30)43-27-16-20-37(21-17-27)25-18-22-42-23-19-25/h2-15,25,27H,16-23H2,1H3,(H,36,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194565
(CHEMBL375639 | N'-{8-fluoro-3-[4-(4-methyl-tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H38FN5O4/c1-35(16-22-45-23-17-35)40-20-18-39(19-21-40)24-28-30(33(42)38-41(34(43)44-2)26-12-7-4-8-13-26)27-14-9-15-29(36)32(27)37-31(28)25-10-5-3-6-11-25/h3-15H,16-24H2,1-2H3,(H,38,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194561
(CHEMBL375638 | N'-{8-fluoro-2-phenyl-3-[4-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H36FN5O4/c1-43-34(42)40(26-11-6-3-7-12-26)37-33(41)30-27-13-8-14-29(35)32(27)36-31(24-9-4-2-5-10-24)28(30)23-38-17-19-39(20-18-38)25-15-21-44-22-16-25/h2-14,25H,15-23H2,1H3,(H,37,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194555
(CHEMBL219330 | N'-[3-(4-acetyl-piperazin-1-ylmethy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H31N5O4/c1-22(37)35-19-17-34(18-20-35)21-26-28(30(38)33-36(31(39)40-2)24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3-16H,17-21H2,1-2H3,(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194560
(CHEMBL220803 | N'-[8-fluoro-3-(4-isopropyl-piperaz...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H34FN5O3/c1-22(2)37-19-17-36(18-20-37)21-26-28(31(39)35-38(32(40)41-3)24-13-8-5-9-14-24)25-15-10-16-27(33)30(25)34-29(26)23-11-6-4-7-12-23/h4-16,22H,17-21H2,1-3H3,(H,35,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194553
(CHEMBL222078 | N'-[3-(4-benzenesulfonyl-piperazin-...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H33N5O5S/c1-45-35(42)40(27-15-7-3-8-16-27)37-34(41)32-29-19-11-12-20-31(29)36-33(26-13-5-2-6-14-26)30(32)25-38-21-23-39(24-22-38)46(43,44)28-17-9-4-10-18-28/h2-20H,21-25H2,1H3,(H,37,41) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194573
(CHEMBL375419 | N'-{8-fluoro-3-[4-(1-methyl-cyclohe...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCCCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H40FN5O3/c1-36(19-10-5-11-20-36)41-23-21-40(22-24-41)25-29-31(34(43)39-42(35(44)45-2)27-15-8-4-9-16-27)28-17-12-18-30(37)33(28)38-32(29)26-13-6-3-7-14-26/h3-4,6-9,12-18H,5,10-11,19-25H2,1-2H3,(H,39,43) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194564
(CHEMBL374307 | N'-[3-(4-benzyl-piperazin-1-ylmethy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H35N5O3/c1-44-36(43)41(29-17-9-4-10-18-29)38-35(42)33-30-19-11-12-20-32(30)37-34(28-15-7-3-8-16-28)31(33)26-40-23-21-39(22-24-40)25-27-13-5-2-6-14-27/h2-20H,21-26H2,1H3,(H,38,42) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194557
(CHEMBL221238 | N-phenyl-N'-{2-phenyl-3-[4-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCSCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H37N5O3S/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194567
(CHEMBL221237 | N'-[3-(4-cyclohexyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H39N5O3/c1-43-35(42)40(28-17-9-4-10-18-28)37-34(41)32-29-19-11-12-20-31(29)36-33(26-13-5-2-6-14-26)30(32)25-38-21-23-39(24-22-38)27-15-7-3-8-16-27/h2,4-6,9-14,17-20,27H,3,7-8,15-16,21-25H2,1H3,(H,37,41) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194570
(CHEMBL220963 | N-phenyl-N'-{2-phenyl-3-[4-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H37N5O4/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194561
(CHEMBL375638 | N'-{8-fluoro-2-phenyl-3-[4-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H36FN5O4/c1-43-34(42)40(26-11-6-3-7-12-26)37-33(41)30-27-13-8-14-29(35)32(27)36-31(24-9-4-2-5-10-24)28(30)23-38-17-19-39(20-18-38)25-15-21-44-22-16-25/h2-14,25H,15-23H2,1H3,(H,37,41) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194565
(CHEMBL375639 | N'-{8-fluoro-3-[4-(4-methyl-tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H38FN5O4/c1-35(16-22-45-23-17-35)40-20-18-39(19-21-40)24-28-30(33(42)38-41(34(43)44-2)26-12-7-4-8-13-26)27-14-9-15-29(36)32(27)37-31(28)25-10-5-3-6-11-25/h3-15H,16-24H2,1-2H3,(H,38,42) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194571
(CHEMBL221444 | N-phenyl-N'-{2-phenyl-3-[1-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(CC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H38N4O4/c1-42-35(41)39(28-12-6-3-7-13-28)37-34(40)32-29-14-8-9-15-31(29)36-33(26-10-4-2-5-11-26)30(32)24-25-16-20-38(21-17-25)27-18-22-43-23-19-27/h2-15,25,27H,16-24H2,1H3,(H,37,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194560
(CHEMBL220803 | N'-[8-fluoro-3-(4-isopropyl-piperaz...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H34FN5O3/c1-22(2)37-19-17-36(18-20-37)21-26-28(31(39)35-38(32(40)41-3)24-13-8-5-9-14-24)25-15-10-16-27(33)30(25)34-29(26)23-11-6-4-7-12-23/h4-16,22H,17-21H2,1-3H3,(H,35,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194566
(CHEMBL218639 | N'-[3-(4-isopropyl-piperazin-1-ylme...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H35N5O3/c1-23(2)36-20-18-35(19-21-36)22-27-29(31(38)34-37(32(39)40-3)25-14-8-5-9-15-25)26-16-10-11-17-28(26)33-30(27)24-12-6-4-7-13-24/h4-17,23H,18-22H2,1-3H3,(H,34,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194555
(CHEMBL219330 | N'-[3-(4-acetyl-piperazin-1-ylmethy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H31N5O4/c1-22(37)35-19-17-34(18-20-35)21-26-28(30(38)33-36(31(39)40-2)24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3-16H,17-21H2,1-2H3,(H,33,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194574
(CHEMBL385738 | N'-[3-(2-dimethylamino-ethoxy)-2-ph...)Show SMILES COC(=O)N(NC(=O)c1c(OCCN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N4O4/c1-31(2)18-19-36-26-24(27(33)30-32(28(34)35-3)21-14-8-5-9-15-21)22-16-10-11-17-23(22)29-25(26)20-12-6-4-7-13-20/h4-17H,18-19H2,1-3H3,(H,30,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194559
(CHEMBL218321 | N-phenyl-N'-{2-phenyl-3-[1-(tetrahy...)Show SMILES COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H36N4O5/c1-41-34(40)38(26-12-6-3-7-13-26)36-33(39)30-28-14-8-9-15-29(28)35-31(24-10-4-2-5-11-24)32(30)43-27-16-20-37(21-17-27)25-18-22-42-23-19-25/h2-15,25,27H,16-23H2,1H3,(H,36,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194554
(CHEMBL374438 | N'-[3-(4-methyl-piperazin-1-ylmethy...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H31N5O3/c1-33-17-19-34(20-18-33)21-25-27(29(36)32-35(30(37)38-2)23-13-7-4-8-14-23)24-15-9-10-16-26(24)31-28(25)22-11-5-3-6-12-22/h3-16H,17-21H2,1-2H3,(H,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194572
(CHEMBL426714 | N'-[3-(1-tert-butyl-piperidin-4-ylo...)Show SMILES COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C(C)(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36N4O4/c1-33(2,3)36-21-19-25(20-22-36)41-30-28(31(38)35-37(32(39)40-4)24-15-9-6-10-16-24)26-17-11-12-18-27(26)34-29(30)23-13-7-5-8-14-23/h5-18,25H,19-22H2,1-4H3,(H,35,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194568
(CHEMBL221299 | N-phenyl-N'-(2-phenyl-3-piperazin-1...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H29N5O3/c1-37-29(36)34(22-12-6-3-7-13-22)32-28(35)26-23-14-8-9-15-25(23)31-27(21-10-4-2-5-11-21)24(26)20-33-18-16-30-17-19-33/h2-15,30H,16-20H2,1H3,(H,32,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194562
(CHEMBL375222 | N'-(8-fluoro-2-phenyl-3-piperazin-1...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H28FN5O3/c1-38-29(37)35(21-11-6-3-7-12-21)33-28(36)25-22-13-8-14-24(30)27(22)32-26(20-9-4-2-5-10-20)23(25)19-34-17-15-31-16-18-34/h2-14,31H,15-19H2,1H3,(H,33,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human NK2 receptor |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194563
(CHEMBL222072 | N-phenyl-N'-(2-phenyl-3-piperidin-4...)Show SMILES COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30N4O3/c1-37-30(36)34(23-12-6-3-7-13-23)33-29(35)27-24-14-8-9-15-26(24)32-28(22-10-4-2-5-11-22)25(27)20-21-16-18-31-19-17-21/h2-15,21,31H,16-20H2,1H3,(H,33,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194569
(CHEMBL221077 | N-phenyl-N'-(2-phenyl-3-piperidin-1...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30N4O3/c1-37-30(36)34(23-15-7-3-8-16-23)32-29(35)27-24-17-9-10-18-26(24)31-28(22-13-5-2-6-14-22)25(27)21-33-19-11-4-12-20-33/h2-3,5-10,13-18H,4,11-12,19-21H2,1H3,(H,32,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human NK1 receptor |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP4503A4 in human liver microsomes |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP4502C9 in human liver microsomes |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50194556
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP4502D6 in human liver microsomes |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50052524
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50194558
(CHEMBL373569 | ELEDOISIN)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation |
Bioorg Med Chem Lett 16: 5752-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S |
More data for this Ligand-Target Pair | |