Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50030067 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
(Rattus norvegicus (rat)) | BDBM50290861
(5-{3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-pip...)Show SMILES C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H24Cl2N4O2/c1-14(16-10-17(23)12-18(24)11-16)30-19-8-5-9-28(13-20-25-22(29)27-26-20)21(19)15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19,21H,5,8-9,13H2,1H3,(H2,25,26,27,29)/t14-,19+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290865
(3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...)Show SMILES C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c1-13(15-10-16(20(22,23)24)12-17(11-15)21(25,26)27)29-18-8-5-9-28-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,28H,5,8-9H2,1H3/t13-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290856
(3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...)Show SMILES C[C@@H](O[C@H]1CCCN(Cc2nnc[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O/c1-15(17-10-18(23(25,26)27)12-19(11-17)24(28,29)30)35-20-8-5-9-34(13-21-31-14-32-33-21)22(20)16-6-3-2-4-7-16/h2-4,6-7,10-12,14-15,20,22H,5,8-9,13H2,1H3,(H,31,32,33)/t15-,20+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290859
(5-{3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2...)Show SMILES C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O2/c1-14(16-10-17(23(25,26)27)12-18(11-16)24(28,29)30)36-19-8-5-9-34(13-20-31-22(35)33-32-20)21(19)15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19,21H,5,8-9,13H2,1H3,(H2,31,32,33,35)/t14-,19+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50052280
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H22F6N4O/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)13-34-19-7-4-8-33(12-20-30-14-31-32-20)21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19,21H,4,7-8,12-13H2,(H,30,31,32)/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50049468
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290863
(3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-piperi...)Show SMILES C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-13(15-10-16(20)12-17(21)11-15)23-18-8-5-9-22-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,22H,5,8-9H2,1H3/t13-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290862
(5-{3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-pip...)Show SMILES C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H26N4O2/c1-16(17-9-4-2-5-10-17)28-19-13-8-14-26(15-20-23-22(27)25-24-20)21(19)18-11-6-3-7-12-18/h2-7,9-12,16,19,21H,8,13-15H2,1H3,(H2,23,24,25,27)/t16-,19+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290858
(5-{3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-pip...)Show SMILES C[C@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H24Cl2N4O2/c1-14(16-10-17(23)12-18(24)11-16)30-19-8-5-9-28(13-20-25-22(29)27-26-20)21(19)15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19,21H,5,8-9,13H2,1H3,(H2,25,26,27,29)/t14-,19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290857
(3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-piperi...)Show SMILES C[C@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-13(15-10-16(20)12-17(21)11-15)23-18-8-5-9-22-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,22H,5,8-9H2,1H3/t13-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290855
(2-Phenyl-3-(1-phenyl-ethoxy)-piperidine | CHEMBL10...)Show InChI InChI=1S/C19H23NO/c1-15(16-9-4-2-5-10-16)21-18-13-8-14-20-19(18)17-11-6-3-7-12-17/h2-7,9-12,15,18-20H,8,13-14H2,1H3/t15-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290864
(3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...)Show SMILES C[C@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c1-13(15-10-16(20(22,23)24)12-17(11-15)21(25,26)27)29-18-8-5-9-28-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,28H,5,8-9H2,1H3/t13-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50290860
(3-Benzyloxy-2-phenyl-piperidine | CHEMBL100178)Show InChI InChI=1S/C18H21NO/c1-3-8-15(9-4-1)14-20-17-12-7-13-19-18(17)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14H2/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50403642
(CHEMBL2111607)Show InChI InChI=1S/C19H23NO/c1-15(16-9-4-2-5-10-16)21-18-13-8-14-20-19(18)17-11-6-3-7-12-17/h2-7,9-12,15,18-20H,8,13-14H2,1H3/t15-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of NK1 receptor in rat liver microsomes. |
Bioorg Med Chem Lett 7: 2959-2962 (1997)
Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX |
More data for this
Ligand-Target Pair | |
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