Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50029616 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)) | BDBM50286220
(2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)Show SMILES CN(C)C(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C24H26F6N2O2/c1-31(2)21(33)14-32-10-6-9-20(22(32)17-7-4-3-5-8-17)34-15-16-11-18(23(25,26)27)13-19(12-16)24(28,29)30/h3-5,7-8,11-13,20,22H,6,9-10,14-15H2,1-2H3/t20-,22-/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000041
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286216
(2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)Show SMILES CNC(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c1-30-20(32)13-31-9-5-8-19(21(31)16-6-3-2-4-7-16)33-14-15-10-17(22(24,25)26)12-18(11-15)23(27,28)29/h2-4,6-7,10-12,19,21H,5,8-9,13-14H2,1H3,(H,30,32)/t19-,21-/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 | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50052283
(2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)Show SMILES NC(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-32-18-7-4-8-30(12-19(29)31)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,29,31)/t18-,20-/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286215
(3-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)Show SMILES NC(=O)CCN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c24-22(25,26)17-11-15(12-18(13-17)23(27,28)29)14-33-19-7-4-9-31(10-8-20(30)32)21(19)16-5-2-1-3-6-16/h1-3,5-6,11-13,19,21H,4,7-10,14H2,(H2,30,32)/t19-,21-/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286214
(4-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)Show SMILES NC(=O)CCCN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C24H26F6N2O2/c25-23(26,27)18-12-16(13-19(14-18)24(28,29)30)15-34-20-8-4-10-32(11-5-9-21(31)33)22(20)17-6-2-1-3-7-17/h1-3,6-7,12-14,20,22H,4-5,8-11,15H2,(H2,31,33)/t20-,22-/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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286218
(CHEMBL67612 | [(2S,3S)-3-(3,5-Bis-trifluoromethyl-...)Show SMILES COC(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C23H23F6NO3/c1-32-20(31)13-30-9-5-8-19(21(30)16-6-3-2-4-7-16)33-14-15-10-17(22(24,25)26)12-18(11-15)23(27,28)29/h2-4,6-7,10-12,19,21H,5,8-9,13-14H2,1H3/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50284632
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-me...)Show SMILES CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C21H21F6NO/c1-28-9-5-8-18(19(28)15-6-3-2-4-7-15)29-13-14-10-16(20(22,23)24)12-17(11-14)21(25,26)27/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3/t18-,19-/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286217
(2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)Show SMILES NC(=O)C(=O)N1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H20F6N2O3/c23-21(24,25)15-9-13(10-16(11-15)22(26,27)28)12-33-17-7-4-8-30(20(32)19(29)31)18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18H,4,7-8,12H2,(H2,29,31)/t17-,18-/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286223
(1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)Show SMILES CC(=O)N1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H21F6NO2/c1-14(30)29-9-5-8-19(20(29)16-6-3-2-4-7-16)31-13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h2-4,6-7,10-12,19-20H,5,8-9,13H2,1H3/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286213
(CHEMBL302315 | [(2S,3S)-3-(3,5-Bis-trifluoromethyl...)Show SMILES COC(=O)C(=O)N1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C23H21F6NO4/c1-33-21(32)20(31)30-9-5-8-18(19(30)15-6-3-2-4-7-15)34-13-14-10-16(22(24,25)26)12-17(11-14)23(27,28)29/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3/t18-,19-/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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286221
(CHEMBL292496 | [(2S,3S)-3-(3,5-Bis-trifluoromethyl...)Show SMILES OC(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H21F6NO3/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-32-18-7-4-8-29(12-19(30)31)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H,30,31)/t18-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286219
((2S,3S)-1-Benzyl-3-(3,5-bis-trifluoromethyl-benzyl...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccccc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H25F6NO/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-35-24-12-7-13-34(17-19-8-3-1-4-9-19)25(24)21-10-5-2-6-11-21/h1-6,8-11,14-16,24-25H,7,12-13,17-18H2/t24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50286222
(2-[(2S,3S)-3-(2-Methoxy-benzylamino)-2-phenyl-pipe...)Show SMILES COc1ccccc1CN[C@H]1CCCN(CC(N)=O)[C@H]1c1ccccc1 Show InChI InChI=1S/C21H27N3O2/c1-26-19-12-6-5-10-17(19)14-23-18-11-7-13-24(15-20(22)25)21(18)16-8-3-2-4-9-16/h2-6,8-10,12,18,21,23H,7,11,13-15H2,1H3,(H2,22,25)/t18-,21-/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 | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of human Tachykinin receptor 3 |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of human Neurokinin Tachykinin receptor 2. |
Bioorg Med Chem Lett 5: 209-212 (1995)
Article DOI: 10.1016/0960-894X(95)00009-I
BindingDB Entry DOI: 10.7270/Q2ZP463J |
More data for this
Ligand-Target Pair | |
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