Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50034559 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)) | BDBM50364189
(CHEMBL1951813)Show SMILES C[C@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20-,21+/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 | 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364190
(CHEMBL1951810)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/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 | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364190
(CHEMBL1951810)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/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 | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364202
(CHEMBL1951626)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccccc1C)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-6-4-5-7-25(19)27-18-40(28(42)22-8-11-39(12-9-22)20(2)41)13-10-26(27)29(43)38(3)17-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37/h4-7,14-16,22,26-27H,8-13,17-18H2,1-3H3/t26-,27+/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 | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364195
(CHEMBL1951633)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(N)=O |r| Show InChI InChI=1S/C24H24F7N3O2/c1-13-7-17(25)3-4-18(13)20-12-34(22(32)36)6-5-19(20)21(35)33(2)11-14-8-15(23(26,27)28)10-16(9-14)24(29,30)31/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,32,36)/t19-,20+/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 | 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364197
(CHEMBL1951631)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)CNC(C)=O |r| Show InChI InChI=1S/C27H28F7N3O3/c1-15-8-20(28)4-5-21(15)23-14-37(24(39)12-35-16(2)38)7-6-22(23)25(40)36(3)13-17-9-18(26(29,30)31)11-19(10-17)27(32,33)34/h4-5,8-11,22-23H,6-7,12-14H2,1-3H3,(H,35,38)/t22-,23+/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 | 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364192
(CHEMBL1951811)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(=O)NO |r| Show InChI InChI=1S/C25H24F7N3O4/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(36)33-39)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20,39H,5-6,11-12H2,1-2H3,(H,33,36)/t19-,20+/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 | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364198
(CHEMBL1951630)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H34F7N3O3/c1-18-12-24(32)4-5-25(18)27-17-41(28(43)21-6-9-40(10-7-21)19(2)42)11-8-26(27)29(44)39(3)16-20-13-22(30(33,34)35)15-23(14-20)31(36,37)38/h4-5,12-15,21,26-27H,6-11,16-17H2,1-3H3/t26-,27+/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 | 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364196
(CHEMBL1951632)Show SMILES CNC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O2/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-2)7-6-20(21)22(36)34(3)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/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 | 0.0480 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364199
(CHEMBL1951629)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C30H32F7N3O3/c1-18(41)39-10-7-21(8-11-39)27(42)40-12-9-25(26(17-40)20-3-5-24(31)6-4-20)28(43)38(2)16-19-13-22(29(32,33)34)15-23(14-19)30(35,36)37/h3-6,13-15,21,25-26H,7-12,16-17H2,1-2H3/t25-,26+/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 | 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364201
(CHEMBL1951627)Show SMILES CCc1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C32H37F6N3O3/c1-4-22-7-5-6-8-26(22)28-19-41(29(43)23-9-12-40(13-10-23)20(2)42)14-11-27(28)30(44)39(3)18-21-15-24(31(33,34)35)17-25(16-21)32(36,37)38/h5-8,15-17,23,27-28H,4,9-14,18-19H2,1-3H3/t27-,28+/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 | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364194
(CHEMBL1951634)Show SMILES CONC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O3/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-38-3)7-6-20(21)22(36)34(2)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/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 | 0.0730 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364207
(CHEMBL1951621)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C30H33F6N3O3/c1-19(40)38-11-8-22(9-12-38)27(41)39-13-10-25(26(18-39)21-6-4-3-5-7-21)28(42)37(2)17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h3-7,14-16,22,25-26H,8-13,17-18H2,1-2H3/t25-,26+/m1/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 | 0.0980 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364193
(CHEMBL1951635)Show SMILES CNC(=O)C(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-14-8-18(27)4-5-19(14)21-13-36(24(39)22(37)34-2)7-6-20(21)23(38)35(3)12-15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,34,37)/t20-,21+/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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364203
(CHEMBL1951625)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1cccc(C)c1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-5-4-6-23(13-19)27-18-40(28(42)22-7-10-39(11-8-22)20(2)41)12-9-26(27)29(43)38(3)17-21-14-24(30(32,33)34)16-25(15-21)31(35,36)37/h4-6,13-16,22,26-27H,7-12,17-18H2,1-3H3/t26-,27+/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 | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364205
(CHEMBL1951623)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1=C(CN(CC1)C(=O)C1CCN(CC1)C(C)=O)c1ccccc1 |t:20| Show InChI InChI=1S/C30H31F6N3O3/c1-19(40)38-11-8-22(9-12-38)27(41)39-13-10-25(26(18-39)21-6-4-3-5-7-21)28(42)37(2)17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h3-7,14-16,22H,8-13,17-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364204
(CHEMBL1951624)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(C)cc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-4-6-22(7-5-19)27-18-40(28(42)23-8-11-39(12-9-23)20(2)41)13-10-26(27)29(43)38(3)17-21-14-24(30(32,33)34)16-25(15-21)31(35,36)37/h4-7,14-16,23,26-27H,8-13,17-18H2,1-3H3/t26-,27+/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 | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364188
(CHEMBL1951814)Show SMILES C[C@@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20+,21-/m1/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364200
(CHEMBL1951628)Show SMILES CC(C)c1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C33H39F6N3O3/c1-20(2)26-7-5-6-8-27(26)29-19-42(30(44)23-9-12-41(13-10-23)21(3)43)14-11-28(29)31(45)40(4)18-22-15-24(32(34,35)36)17-25(16-22)33(37,38)39/h5-8,15-17,20,23,28-29H,9-14,18-19H2,1-4H3/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 | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364212
(CHEMBL1951616)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCNC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H22F6N2O/c1-30(13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28)20(31)18-7-8-29-12-19(18)15-5-3-2-4-6-15/h2-6,9-11,18-19,29H,7-8,12-13H2,1H3/t18-,19+/m1/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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364210
(CHEMBL1951618)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C24H24F6N2O2/c1-15(33)32-9-8-20(21(14-32)17-6-4-3-5-7-17)22(34)31(2)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h3-7,10-12,20-21H,8-9,13-14H2,1-2H3/t20-,21+/m1/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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364206
(CHEMBL1951622)Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CC[C@H]([C@@H](C1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H31F6N3O3/c1-18(39)37-10-7-21(8-11-37)27(41)38-12-9-24(25(17-38)20-5-3-2-4-6-20)26(40)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,21,24-25H,7-12,16-17H2,1H3,(H,36,40)/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
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364209
(CHEMBL1951619)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@H]1c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C24H24F6N2O2/c1-15(33)32-9-8-20(21(14-32)17-6-4-3-5-7-17)22(34)31(2)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h3-7,10-12,20-21H,8-9,13-14H2,1-2H3/t20-,21-/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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364211
(CHEMBL1951617)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCNC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H22F6N2O/c1-30(13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28)20(31)18-7-8-29-12-19(18)15-5-3-2-4-6-15/h2-6,9-11,18-19,29H,7-8,12-13H2,1H3/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
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364208
(CHEMBL1951620)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CNC(C)=O |r| Show InChI InChI=1S/C26H27F6N3O3/c1-16(36)33-13-23(37)35-9-8-21(22(15-35)18-6-4-3-5-7-18)24(38)34(2)14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h3-7,10-12,21-22H,8-9,13-15H2,1-2H3,(H,33,36)/t21-,22+/m1/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50364191
(CHEMBL1951812)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m1/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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting |
Bioorg Med Chem 20: 962-77 (2012)
Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG |
More data for this
Ligand-Target Pair | |
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