Found 3 hits in this display 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 |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50401077
(CHEMBL2203709)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC2(CC1)OCCS2(=O)=O Show InChI InChI=1S/C32H32F7N3O4S/c1-19-13-23(33)5-6-24(19)25-17-27(42-9-7-30(8-10-42)46-11-12-47(30,44)45)40-18-26(25)41(4)28(43)29(2,3)20-14-21(31(34,35)36)16-22(15-20)32(37,38)39/h5-6,13-18H,7-12H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells |
J Med Chem 55: 5061-76 (2012)
Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50401077
(CHEMBL2203709)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC2(CC1)OCCS2(=O)=O Show InChI InChI=1S/C32H32F7N3O4S/c1-19-13-23(33)5-6-24(19)25-17-27(42-9-7-30(8-10-42)46-11-12-47(30,44)45)40-18-26(25)41(4)28(43)29(2,3)20-14-21(31(34,35)36)16-22(15-20)32(37,38)39/h5-6,13-18H,7-12H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells |
J Med Chem 55: 5061-76 (2012)
Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50401077
(CHEMBL2203709)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC2(CC1)OCCS2(=O)=O Show InChI InChI=1S/C32H32F7N3O4S/c1-19-13-23(33)5-6-24(19)25-17-27(42-9-7-30(8-10-42)46-11-12-47(30,44)45)40-18-26(25)41(4)28(43)29(2,3)20-14-21(31(34,35)36)16-22(15-20)32(37,38)39/h5-6,13-18H,7-12H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 97.7 | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins |
J Med Chem 55: 5061-76 (2012)
Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4 |
More data for this Ligand-Target Pair | |