Found 6 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50281976' 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)) | BDBM50281976
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University
Curated by ChEMBL
| Assay Description Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP. |
J Med Chem 41: 3609-23 (1998)
Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281976
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University
Curated by ChEMBL
| Assay Description Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP. |
J Med Chem 41: 3609-23 (1998)
Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281976
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2 BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281976
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards human Tachykinin receptor 1 expressed in CHO cells by the displacement of [125 I] substance P |
Bioorg Med Chem Lett 4: 1903-1908 (1994)
Article DOI: 10.1016/S0960-894X(01)80531-X BindingDB Entry DOI: 10.7270/Q2NK3DZ1 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281976
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity towards wild type human Wild-type tachykinin receptor 1 expressed in Chinese hamster ovary cells |
Bioorg Med Chem Lett 5: 1261-1264 (1995)
Article DOI: 10.1016/0960-894X(95)00205-8 BindingDB Entry DOI: 10.7270/Q2RR1Z57 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281976
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity towards human mutant NK-1 receptor in which His-197 has been replaced by alanine (H197A) |
Bioorg Med Chem Lett 5: 1261-1264 (1995)
Article DOI: 10.1016/0960-894X(95)00205-8 BindingDB Entry DOI: 10.7270/Q2RR1Z57 |
More data for this Ligand-Target Pair | |