Found 4 hits for monomerid = 50401083 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50401083
(CHEMBL2203703)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | 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 | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50401083
(CHEMBL2203703)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | 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 Binding affinity at human NK1 receptor |
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)) | BDBM50401083
(CHEMBL2203703)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | 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 Binding affinity to wild type human NK3 receptor |
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)) | BDBM50401083
(CHEMBL2203703)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | 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 | |