Found 58 hits of Enzyme Inhibition Constant Data 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)) | BDBM50093113
(CHEMBL306097 | N-{1-[2-(4-{5-(3,5-Bis-trifluoromet...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2F6N5O4/c1-21(47)42-26-5-8-46(17-26)31(48)18-45-11-9-44(10-12-45)7-6-27(23-3-4-28(34)29(35)15-23)30(43-49-2)20-50-19-22-13-24(32(36,37)38)16-25(14-22)33(39,40)41/h3-4,13-16,26-27H,5-12,17-20H2,1-2H3,(H,42,47)/b43-30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093118
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-47-41-29(20-48-19-21-13-23(31(35,36)37)16-24(14-21)32(38,39)40)26(22-4-5-27(33)28(34)15-22)6-8-42-9-11-43(12-10-42)18-30(46)44-7-2-3-25(45)17-44/h4-5,13-16,25-26,45H,2-3,6-12,17-20H2,1H3/b41-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093104
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-47-41-29(20-48-19-22-12-24(31(35,36)37)15-25(13-22)32(38,39)40)26(23-2-3-27(33)28(34)14-23)5-6-42-8-10-43(11-9-42)17-30(46)44-7-4-21(16-44)18-45/h2-3,12-15,21,26,45H,4-11,16-20H2,1H3/b41-29+/t21-,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093107
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-47-41-29(20-48-19-22-12-24(31(35,36)37)15-25(13-22)32(38,39)40)26(23-2-3-27(33)28(34)14-23)5-6-42-8-10-43(11-9-42)17-30(46)44-7-4-21(16-44)18-45/h2-3,12-15,21,26,45H,4-11,16-20H2,1H3/b41-29+/t21-,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093120
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2F6N4O3/c1-45-40-28(20-46-19-21-14-23(30(34,35)36)17-24(15-21)31(37,38)39)25(22-4-5-26(32)27(33)16-22)6-9-41-10-12-42(13-11-41)18-29(44)43-7-2-3-8-43/h4-5,14-17,25H,2-3,6-13,18-20H2,1H3/b40-28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093107
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-47-41-29(20-48-19-22-12-24(31(35,36)37)15-25(13-22)32(38,39)40)26(23-2-3-27(33)28(34)14-23)5-6-42-8-10-43(11-9-42)17-30(46)44-7-4-21(16-44)18-45/h2-3,12-15,21,26,45H,4-11,16-20H2,1H3/b41-29+/t21-,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093111
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC(C2)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H41Cl2F6N5O3/c1-43(2)26-6-9-46(18-26)31(47)19-45-12-10-44(11-13-45)8-7-27(23-4-5-28(34)29(35)16-23)30(42-48-3)21-49-20-22-14-24(32(36,37)38)17-25(15-22)33(39,40)41/h4-5,14-17,26-27H,6-13,18-21H2,1-3H3/b42-30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093105
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2F6N4O4/c1-46-40-28(19-47-18-20-12-22(30(34,35)36)15-23(13-20)31(37,38)39)25(21-2-3-26(32)27(33)14-21)5-6-41-8-10-42(11-9-41)17-29(45)43-7-4-24(44)16-43/h2-3,12-15,24-25,44H,4-11,16-19H2,1H3/b40-28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093097
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2F6N4O4/c1-45-40-28(20-47-19-21-14-23(30(34,35)36)17-24(15-21)31(37,38)39)25(22-2-3-26(32)27(33)16-22)4-5-41-6-8-42(9-7-41)18-29(44)43-10-12-46-13-11-43/h2-3,14-17,25H,4-13,18-20H2,1H3/b40-28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093102
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)NCC2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-46-42-29(20-47-19-21-13-23(31(35,36)37)16-24(14-21)32(38,39)40)26(22-4-5-27(33)28(34)15-22)6-7-43-8-10-44(11-9-43)18-30(45)41-17-25-3-2-12-48-25/h4-5,13-16,25-26H,2-3,6-12,17-20H2,1H3,(H,41,45)/b42-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093120
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2F6N4O3/c1-45-40-28(20-46-19-21-14-23(30(34,35)36)17-24(15-21)31(37,38)39)25(22-4-5-26(32)27(33)16-22)6-9-41-10-12-42(13-11-41)18-29(44)43-7-2-3-8-43/h4-5,14-17,25H,2-3,6-13,18-20H2,1H3/b40-28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093086
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H32Cl2F6N2O3/c1-44-41-29(20-45-19-21-15-24(31(35,36)37)18-25(16-21)32(38,39)40)26(22-7-8-27(33)28(34)17-22)9-12-42-13-10-30(43,11-14-42)23-5-3-2-4-6-23/h2-8,15-18,26,43H,9-14,19-20H2,1H3/b41-29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093116
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2F6N4O4/c1-45-39-27(18-46-17-19-10-21(29(33,34)35)13-22(11-19)30(36,37)38)24(20-2-3-25(31)26(32)12-20)4-5-40-6-8-41(9-7-40)16-28(44)42-14-23(43)15-42/h2-3,10-13,23-24,43H,4-9,14-18H2,1H3/b39-27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093112
(5-[4-(2-Azetidin-1-yl-2-oxo-ethyl)-piperazin-1-yl]...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2F6N4O3/c1-44-39-27(19-45-18-20-13-22(29(33,34)35)16-23(14-20)30(36,37)38)24(21-3-4-25(31)26(32)15-21)5-8-40-9-11-41(12-10-40)17-28(43)42-6-2-7-42/h3-4,13-16,24H,2,5-12,17-19H2,1H3/b39-27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093104
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-47-41-29(20-48-19-22-12-24(31(35,36)37)15-25(13-22)32(38,39)40)26(23-2-3-27(33)28(34)14-23)5-6-42-8-10-43(11-9-42)17-30(46)44-7-4-21(16-44)18-45/h2-3,12-15,21,26,45H,4-11,16-20H2,1H3/b41-29+/t21-,26?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093123
(1-[2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(...)Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CN1CCN(CCC(\C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C35H42Cl2F6N4O5/c1-3-52-33(49)24-6-10-47(11-7-24)32(48)20-46-14-12-45(13-15-46)9-8-28(25-4-5-29(36)30(37)18-25)31(44-50-2)22-51-21-23-16-26(34(38,39)40)19-27(17-23)35(41,42)43/h4-5,16-19,24,28H,3,6-15,20-22H2,1-2H3/b44-31+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093110
((S)-1-[2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H37Cl2F6N5O4/c1-48-42-27(19-49-18-20-13-22(31(35,36)37)16-23(14-20)32(38,39)40)24(21-4-5-25(33)26(34)15-21)6-8-43-9-11-44(12-10-43)17-29(46)45-7-2-3-28(45)30(41)47/h4-5,13-16,24,28H,2-3,6-12,17-19H2,1H3,(H2,41,47)/b42-27+/t24?,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093086
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H32Cl2F6N2O3/c1-44-41-29(20-45-19-21-15-24(31(35,36)37)18-25(16-21)32(38,39)40)26(22-7-8-27(33)28(34)17-22)9-12-42-13-10-30(43,11-14-42)23-5-3-2-4-6-23/h2-8,15-18,26,43H,9-14,19-20H2,1H3/b41-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093110
((S)-1-[2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H37Cl2F6N5O4/c1-48-42-27(19-49-18-20-13-22(31(35,36)37)16-23(14-20)32(38,39)40)24(21-4-5-25(33)26(34)15-21)6-8-43-9-11-44(12-10-43)17-29(46)45-7-2-3-28(45)30(41)47/h4-5,13-16,24,28H,2-3,6-12,17-19H2,1H3,(H2,41,47)/b42-27+/t24?,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093097
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2F6N4O4/c1-45-40-28(20-47-19-21-14-23(30(34,35)36)17-24(15-21)31(37,38)39)25(22-2-3-26(32)27(33)16-22)4-5-41-6-8-42(9-7-41)18-29(44)43-10-12-46-13-11-43/h2-3,14-17,25H,4-13,18-20H2,1H3/b40-28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093105
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2F6N4O4/c1-46-40-28(19-47-18-20-12-22(30(34,35)36)15-23(13-20)31(37,38)39)25(21-2-3-26(32)27(33)14-21)5-6-41-8-10-42(11-9-41)17-29(45)43-7-4-24(44)16-43/h2-3,12-15,24-25,44H,4-11,16-19H2,1H3/b40-28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093124
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCNCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H27Cl2F6N3O2/c1-37-35-23(15-38-14-16-10-18(24(28,29)30)13-19(11-16)25(31,32)33)20(4-7-36-8-5-34-6-9-36)17-2-3-21(26)22(27)12-17/h2-3,10-13,20,34H,4-9,14-15H2,1H3/b35-23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093116
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2F6N4O4/c1-45-39-27(18-46-17-19-10-21(29(33,34)35)13-22(11-19)30(36,37)38)24(20-2-3-25(31)26(32)12-20)4-5-40-6-8-41(9-7-40)16-28(44)42-14-23(43)15-42/h2-3,10-13,23-24,43H,4-9,14-18H2,1H3/b39-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093112
(5-[4-(2-Azetidin-1-yl-2-oxo-ethyl)-piperazin-1-yl]...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2F6N4O3/c1-44-39-27(19-45-18-20-13-22(29(33,34)35)16-23(14-20)30(36,37)38)24(21-3-4-25(31)26(32)15-21)5-8-40-9-11-41(12-10-40)17-28(43)42-6-2-7-42/h3-4,13-16,24H,2,5-12,17-19H2,1H3/b39-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093118
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-47-41-29(20-48-19-21-13-23(31(35,36)37)16-24(14-21)32(38,39)40)26(22-4-5-27(33)28(34)15-22)6-8-42-9-11-43(12-10-42)18-30(46)44-7-2-3-25(45)17-44/h4-5,13-16,25-26,45H,2-3,6-12,17-20H2,1H3/b41-29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093101
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CCOCCCNC(=O)CN1CCN(CCC(\C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C32H40Cl2F6N4O4/c1-3-47-14-4-8-41-30(45)19-44-12-10-43(11-13-44)9-7-26(23-5-6-27(33)28(34)17-23)29(42-46-2)21-48-20-22-15-24(31(35,36)37)18-25(16-22)32(38,39)40/h5-6,15-18,26H,3-4,7-14,19-21H2,1-2H3,(H,41,45)/b42-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093114
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H40Cl2F6N4O4/c1-48-42-30(21-49-20-22-14-24(32(36,37)38)17-25(15-22)33(39,40)41)27(23-5-6-28(34)29(35)16-23)7-9-43-10-12-44(13-11-43)18-31(47)45-8-3-2-4-26(45)19-46/h5-6,14-17,26-27,46H,2-4,7-13,18-21H2,1H3/b42-30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093113
(CHEMBL306097 | N-{1-[2-(4-{5-(3,5-Bis-trifluoromet...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2F6N5O4/c1-21(47)42-26-5-8-46(17-26)31(48)18-45-11-9-44(10-12-45)7-6-27(23-3-4-28(34)29(35)15-23)30(43-49-2)20-50-19-22-13-24(32(36,37)38)16-25(14-22)33(39,40)41/h3-4,13-16,26-27H,5-12,17-20H2,1-2H3,(H,42,47)/b43-30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093114
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCCC2CO)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H40Cl2F6N4O4/c1-48-42-30(21-49-20-22-14-24(32(36,37)38)17-25(15-22)33(39,40)41)27(23-5-6-28(34)29(35)16-23)7-9-43-10-12-44(13-11-43)18-31(47)45-8-3-2-4-26(45)19-46/h5-6,14-17,26-27,46H,2-4,7-13,18-21H2,1H3/b42-30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093117
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-5-(4-cyclohe...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H37Cl2F6N3O2/c1-43-40-29(20-44-19-21-15-23(30(34,35)36)18-24(16-21)31(37,38)39)26(22-7-8-27(32)28(33)17-22)9-10-41-11-13-42(14-12-41)25-5-3-2-4-6-25/h7-8,15-18,25-26H,2-6,9-14,19-20H2,1H3/b40-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093108
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H29Cl2F6N3O2/c1-36-7-9-37(10-8-36)6-5-21(18-3-4-22(27)23(28)13-18)24(35-38-2)16-39-15-17-11-19(25(29,30)31)14-20(12-17)26(32,33)34/h3-4,11-14,21H,5-10,15-16H2,1-2H3/b35-24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093109
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)NC2CC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2F6N4O3/c1-44-40-27(18-45-17-19-12-21(29(33,34)35)15-22(13-19)30(36,37)38)24(20-2-5-25(31)26(32)14-20)6-7-41-8-10-42(11-9-41)16-28(43)39-23-3-4-23/h2,5,12-15,23-24H,3-4,6-11,16-18H2,1H3,(H,39,43)/b40-27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093099
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC1)c1ncccn1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H29Cl2F6N5O2/c1-43-40-26(18-44-17-19-13-21(28(32,33)34)16-22(14-19)29(35,36)37)23(20-3-4-24(30)25(31)15-20)5-8-41-9-11-42(12-10-41)27-38-6-2-7-39-27/h2-4,6-7,13-16,23H,5,8-12,17-18H2,1H3/b40-26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093122
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C(C)C)C(C)C)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl2F6N4O3/c1-21(2)45(22(3)4)31(46)18-44-12-10-43(11-13-44)9-8-27(24-6-7-28(34)29(35)16-24)30(42-47-5)20-48-19-23-14-25(32(36,37)38)17-26(15-23)33(39,40)41/h6-7,14-17,21-22,27H,8-13,18-20H2,1-5H3/b42-30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093100
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O3/c1-46-41-29(21-47-20-22-15-24(31(35,36)37)18-25(16-22)32(38,39)40)26(23-5-6-27(33)28(34)17-23)7-10-42-11-13-43(14-12-42)19-30(45)44-8-3-2-4-9-44/h5-6,15-18,26H,2-4,7-14,19-21H2,1H3/b41-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093111
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC(C2)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H41Cl2F6N5O3/c1-43(2)26-6-9-46(18-26)31(47)19-45-12-10-44(11-13-45)8-7-27(23-4-5-28(34)29(35)16-23)30(42-48-3)21-49-20-22-14-24(32(36,37)38)17-25(15-22)33(39,40)41/h4-5,14-17,26-27H,6-13,18-21H2,1-3H3/b42-30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093115
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H42Cl2F6N4O3/c1-44(27-6-4-3-5-7-27)32(47)20-46-14-12-45(13-15-46)11-10-28(24-8-9-29(35)30(36)18-24)31(43-48-2)22-49-21-23-16-25(33(37,38)39)19-26(17-23)34(40,41)42/h8-9,16-19,27-28H,3-7,10-15,20-22H2,1-2H3/b43-31+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093119
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H38Cl2F6N4O3/c1-50-45-33(23-51-22-24-16-28(35(39,40)41)19-29(17-24)36(42,43)44)30(26-6-7-31(37)32(38)18-26)9-10-46-12-14-47(15-13-46)21-34(49)48-11-8-25-4-2-3-5-27(25)20-48/h2-7,16-19,30H,8-15,20-23H2,1H3/b45-33+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093121
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H34Cl2F6N4O3/c1-47-43-30(21-48-20-22-15-24(32(36,37)38)18-25(16-22)33(39,40)41)27(23-7-8-28(34)29(35)17-23)9-10-44-11-13-45(14-12-44)19-31(46)42-26-5-3-2-4-6-26/h2-8,15-18,27H,9-14,19-21H2,1H3,(H,42,46)/b43-30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093117
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-5-(4-cyclohe...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H37Cl2F6N3O2/c1-43-40-29(20-44-19-21-15-23(30(34,35)36)18-24(16-21)31(37,38)39)26(22-7-8-27(32)28(33)17-22)9-10-41-11-13-42(14-12-41)25-5-3-2-4-6-25/h7-8,15-18,25-26H,2-6,9-14,19-20H2,1H3/b40-29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093098
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCC3CCCCC23)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H44Cl2F6N4O3/c1-50-45-32(23-51-22-24-17-27(35(39,40)41)20-28(18-24)36(42,43)44)29(26-8-9-30(37)31(38)19-26)10-12-46-13-15-47(16-14-46)21-34(49)48-11-4-6-25-5-2-3-7-33(25)48/h8-9,17-20,25,29,33H,2-7,10-16,21-23H2,1H3/b45-32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093103
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)NC2CCc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H38Cl2F6N4O3/c1-50-46-33(22-51-21-23-16-26(35(39,40)41)19-27(17-23)36(42,43)44)29(25-6-8-30(37)31(38)18-25)10-11-47-12-14-48(15-13-47)20-34(49)45-32-9-7-24-4-2-3-5-28(24)32/h2-6,8,16-19,29,32H,7,9-15,20-22H2,1H3,(H,45,49)/b46-33+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093122
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C(C)C)C(C)C)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl2F6N4O3/c1-21(2)45(22(3)4)31(46)18-44-12-10-43(11-13-44)9-8-27(24-6-7-28(34)29(35)16-24)30(42-47-5)20-48-19-23-14-25(32(36,37)38)17-26(15-23)33(39,40)41/h6-7,14-17,21-22,27H,8-13,18-20H2,1-5H3/b42-30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50093106
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H31Cl2F6N3O2/c1-43-40-29(20-44-19-21-15-23(30(34,35)36)18-24(16-21)31(37,38)39)26(22-7-8-27(32)28(33)17-22)9-10-41-11-13-42(14-12-41)25-5-3-2-4-6-25/h2-8,15-18,26H,9-14,19-20H2,1H3/b40-29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 181 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 1 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093108
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H29Cl2F6N3O2/c1-36-7-9-37(10-8-36)6-5-21(18-3-4-22(27)23(28)13-18)24(35-38-2)16-39-15-17-11-19(25(29,30)31)14-20(12-17)26(32,33)34/h3-4,11-14,21H,5-10,15-16H2,1-2H3/b35-24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093100
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O3/c1-46-41-29(21-47-20-22-15-24(31(35,36)37)18-25(16-22)32(38,39)40)26(23-5-6-27(33)28(34)17-23)7-10-42-11-13-43(14-12-42)19-30(45)44-8-3-2-4-9-44/h5-6,15-18,26H,2-4,7-14,19-21H2,1H3/b41-29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 208 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093099
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC1)c1ncccn1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H29Cl2F6N5O2/c1-43-40-26(18-44-17-19-13-21(28(32,33)34)16-22(14-19)29(35,36)37)23(20-3-4-24(30)25(31)15-20)5-8-41-9-11-42(12-10-41)27-38-6-2-7-39-27/h2-4,6-7,13-16,23H,5,8-12,17-18H2,1H3/b40-26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093109
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)NC2CC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2F6N4O3/c1-44-40-27(18-45-17-19-12-21(29(33,34)35)15-22(13-19)30(36,37)38)24(20-2-5-25(31)26(32)14-20)6-7-41-8-10-42(11-9-41)16-28(43)39-23-3-4-23/h2,5,12-15,23-24H,3-4,6-11,16-18H2,1H3,(H,39,43)/b40-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093102
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)NCC2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2F6N4O4/c1-46-42-29(20-47-19-21-13-23(31(35,36)37)16-24(14-21)32(38,39)40)26(22-4-5-27(33)28(34)15-22)6-7-43-8-10-44(11-9-43)18-30(45)41-17-25-3-2-12-48-25/h4-5,13-16,25-26H,2-3,6-12,17-20H2,1H3,(H,41,45)/b42-29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093115
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H42Cl2F6N4O3/c1-44(27-6-4-3-5-7-27)32(47)20-46-14-12-45(13-15-46)11-10-28(24-8-9-29(35)30(36)18-24)31(43-48-2)22-49-21-23-16-25(33(37,38)39)19-26(17-23)34(40,41)42/h8-9,16-19,27-28H,3-7,10-15,20-22H2,1-2H3/b43-31+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 368 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093101
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CCOCCCNC(=O)CN1CCN(CCC(\C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C32H40Cl2F6N4O4/c1-3-47-14-4-8-41-30(45)19-44-12-10-43(11-13-44)9-7-26(23-5-6-27(33)28(34)17-23)29(42-46-2)21-48-20-22-15-24(31(35,36)37)18-25(16-22)32(38,39)40/h5-6,15-18,26H,3-4,7-14,19-21H2,1-2H3,(H,41,45)/b42-29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 382 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093123
(1-[2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(...)Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CN1CCN(CCC(\C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C35H42Cl2F6N4O5/c1-3-52-33(49)24-6-10-47(11-7-24)32(48)20-46-14-12-45(13-15-46)9-8-28(25-4-5-29(36)30(37)18-25)31(44-50-2)22-51-21-23-16-26(34(38,39)40)19-27(17-23)35(41,42)43/h4-5,16-19,24,28H,3,6-15,20-22H2,1-2H3/b44-31+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 409 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093098
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCCC3CCCCC23)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H44Cl2F6N4O3/c1-50-45-32(23-51-22-24-17-27(35(39,40)41)20-28(18-24)36(42,43)44)29(26-8-9-30(37)31(38)19-26)10-12-46-13-15-47(16-14-46)21-34(49)48-11-4-6-25-5-2-3-7-33(25)48/h8-9,17-20,25,29,33H,2-7,10-16,21-23H2,1H3/b45-32+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 477 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093119
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H38Cl2F6N4O3/c1-50-45-33(23-51-22-24-16-28(35(39,40)41)19-29(17-24)36(42,43)44)30(26-6-7-31(37)32(38)18-26)9-10-46-12-14-47(15-13-46)21-34(49)48-11-8-25-4-2-3-5-27(25)20-48/h2-7,16-19,30H,8-15,20-23H2,1H3/b45-33+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 566 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093121
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H34Cl2F6N4O3/c1-47-43-30(21-48-20-22-15-24(32(36,37)38)18-25(16-22)33(39,40)41)27(23-7-8-28(34)29(35)17-23)9-10-44-11-13-45(14-12-44)19-31(46)42-26-5-3-2-4-6-26/h2-8,15-18,27H,9-14,19-21H2,1H3,(H,42,46)/b43-30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093103
(2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)NC2CCc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H38Cl2F6N4O3/c1-50-46-33(22-51-21-23-16-26(35(39,40)41)19-27(17-23)36(42,43)44)29(25-6-8-30(37)31(38)18-25)10-11-47-12-14-48(15-13-47)20-34(49)45-32-9-7-24-4-2-3-5-28(24)32/h2-6,8,16-19,29,32H,7,9-15,20-22H2,1H3,(H,45,49)/b46-33+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093124
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCNCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H27Cl2F6N3O2/c1-37-35-23(15-38-14-16-10-18(24(28,29)30)13-19(11-16)25(31,32)33)20(4-7-36-8-5-34-6-9-36)17-2-3-21(26)22(27)12-17/h2-3,10-13,20,34H,4-9,14-15H2,1H3/b35-23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 738 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50093106
(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H31Cl2F6N3O2/c1-43-40-29(20-44-19-21-15-23(30(34,35)36)18-24(16-21)31(37,38)39)26(22-7-8-27(32)28(33)17-22)9-10-41-11-13-42(14-12-41)25-5-3-2-4-6-25/h2-8,15-18,26H,9-14,19-20H2,1H3/b40-29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 978 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against human tachykinin receptor 2 |
Bioorg Med Chem Lett 10: 2333-5 (2001)
BindingDB Entry DOI: 10.7270/Q2X63M6B |
More data for this
Ligand-Target Pair | |
Search and Browse
