Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50031777 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)) | BDBM50318924
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/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
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318925
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/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
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318922
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318930
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(39)37(4)22-15-35-23(36(3)9-10-38)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15,38H,9-10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318919
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C28H26ClF6N3O2/c1-26(2,16-10-17(27(30,31)32)12-18(11-16)28(33,34)35)25(40)37(3)23-14-36-24(38-9-8-19(39)15-38)13-21(23)20-6-4-5-7-22(20)29/h4-7,10-14,19,39H,8-9,15H2,1-3H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318915
(CHEMBL1082737 | N-(6-(bis(2-hydroxyethyl)amino)-4-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCO Show InChI InChI=1S/C28H28ClF6N3O3/c1-26(2,17-12-18(27(30,31)32)14-19(13-17)28(33,34)35)25(41)37(3)23-16-36-24(38(8-10-39)9-11-40)15-21(23)20-6-4-5-7-22(20)29/h4-7,12-16,39-40H,8-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318927
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-10-17(28(31,32)33)12-18(11-16)29(34,35)36)26(42)38(3)22-14-37-25(39-9-8-24(41)23(39)15-40)13-20(22)19-6-4-5-7-21(19)30/h4-7,10-14,23-24,40-41H,8-9,15H2,1-3H3/t23-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318926
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES COC[C@@H]1C[C@H](CN1c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl)OC |r| Show InChI InChI=1S/C31H32ClF6N3O3/c1-29(2,18-10-19(30(33,34)35)12-20(11-18)31(36,37)38)28(42)40(3)26-15-39-27(14-24(26)23-8-6-7-9-25(23)32)41-16-22(44-5)13-21(41)17-43-4/h6-12,14-15,21-22H,13,16-17H2,1-5H3/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318916
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCCO Show InChI InChI=1S/C29H30ClF6N3O3/c1-27(2,18-13-19(28(31,32)33)15-20(14-18)29(34,35)36)26(42)38(3)24-17-37-25(39(10-12-41)9-6-11-40)16-22(24)21-7-4-5-8-23(21)30/h4-5,7-8,13-17,40-41H,6,9-12H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318922
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318928
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(NCCO)cc1-c1ccccc1Cl Show InChI InChI=1S/C26H24ClF6N3O2/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(38)36(3)21-14-35-22(34-8-9-37)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,37H,8-9H2,1-3H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318925
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318915
(CHEMBL1082737 | N-(6-(bis(2-hydroxyethyl)amino)-4-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCO Show InChI InChI=1S/C28H28ClF6N3O3/c1-26(2,17-12-18(27(30,31)32)14-19(13-17)28(33,34)35)25(41)37(3)23-16-36-24(38(8-10-39)9-11-40)15-21(23)20-6-4-5-7-22(20)29/h4-7,12-16,39-40H,8-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318916
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCCO Show InChI InChI=1S/C29H30ClF6N3O3/c1-27(2,18-13-19(28(31,32)33)15-20(14-18)29(34,35)36)26(42)38(3)24-17-37-25(39(10-12-41)9-6-11-40)16-22(24)21-7-4-5-8-23(21)30/h4-5,7-8,13-17,40-41H,6,9-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318924
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318923
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318927
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-10-17(28(31,32)33)12-18(11-16)29(34,35)36)26(42)38(3)22-14-37-25(39-9-8-24(41)23(39)15-40)13-20(22)19-6-4-5-7-21(19)30/h4-7,10-14,23-24,40-41H,8-9,15H2,1-3H3/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318917
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC(O)C1 Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(40)16-39)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318932
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CCCN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C29H30ClF6N3O2/c1-5-10-39(11-12-40)25-16-22(21-8-6-7-9-23(21)30)24(17-37-25)38(4)26(41)27(2,3)18-13-19(28(31,32)33)15-20(14-18)29(34,35)36/h6-9,13-17,40H,5,10-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318921
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC[C@@H]1CO |r| Show InChI InChI=1S/C30H30ClF6N3O2/c1-28(2,18-12-19(29(32,33)34)14-20(13-18)30(35,36)37)27(42)39(3)25-16-38-26(40-11-7-6-8-21(40)17-41)15-23(25)22-9-4-5-10-24(22)31/h4-5,9-10,12-16,21,41H,6-8,11,17H2,1-3H3/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318918
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C28H26ClF6N3O2/c1-26(2,16-10-17(27(30,31)32)12-18(11-16)28(33,34)35)25(40)37(3)23-14-36-24(38-9-8-19(39)15-38)13-21(23)20-6-4-5-7-22(20)29/h4-7,10-14,19,39H,8-9,15H2,1-3H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318930
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(39)37(4)22-15-35-23(36(3)9-10-38)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15,38H,9-10H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318929
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES COCCNc1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(38)37(3)22-15-36-23(35-9-10-39-4)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15H,9-10H2,1-4H3,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.05 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318931
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CCN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C28H28ClF6N3O2/c1-5-38(10-11-39)24-15-21(20-8-6-7-9-22(20)29)23(16-36-24)37(4)25(40)26(2,3)17-12-18(27(30,31)32)14-19(13-17)28(33,34)35/h6-9,12-16,39H,5,10-11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318932
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CCCN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C29H30ClF6N3O2/c1-5-10-39(11-12-40)25-16-22(21-8-6-7-9-23(21)30)24(17-37-25)38(4)26(41)27(2,3)18-13-19(28(31,32)33)15-20(14-18)29(34,35)36/h6-9,13-17,40H,5,10-12H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318918
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C28H26ClF6N3O2/c1-26(2,16-10-17(27(30,31)32)12-18(11-16)28(33,34)35)25(40)37(3)23-14-36-24(38-9-8-19(39)15-38)13-21(23)20-6-4-5-7-22(20)29/h4-7,10-14,19,39H,8-9,15H2,1-3H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318923
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318920
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC[C@H]1CO |r| Show InChI InChI=1S/C30H30ClF6N3O2/c1-28(2,18-12-19(29(32,33)34)14-20(13-18)30(35,36)37)27(42)39(3)25-16-38-26(40-11-7-6-8-21(40)17-41)15-23(25)22-9-4-5-10-24(22)31/h4-5,9-10,12-16,21,41H,6-8,11,17H2,1-3H3/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318919
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C28H26ClF6N3O2/c1-26(2,16-10-17(27(30,31)32)12-18(11-16)28(33,34)35)25(40)37(3)23-14-36-24(38-9-8-19(39)15-38)13-21(23)20-6-4-5-7-22(20)29/h4-7,10-14,19,39H,8-9,15H2,1-3H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318920
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC[C@H]1CO |r| Show InChI InChI=1S/C30H30ClF6N3O2/c1-28(2,18-12-19(29(32,33)34)14-20(13-18)30(35,36)37)27(42)39(3)25-16-38-26(40-11-7-6-8-21(40)17-41)15-23(25)22-9-4-5-10-24(22)31/h4-5,9-10,12-16,21,41H,6-8,11,17H2,1-3H3/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318928
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(NCCO)cc1-c1ccccc1Cl Show InChI InChI=1S/C26H24ClF6N3O2/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(38)36(3)21-14-35-22(34-8-9-37)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,37H,8-9H2,1-3H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318931
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CCN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C28H28ClF6N3O2/c1-5-38(10-11-39)24-15-21(20-8-6-7-9-22(20)29)23(16-36-24)37(4)25(40)26(2,3)17-12-18(27(30,31)32)14-19(13-17)28(33,34)35/h6-9,12-16,39H,5,10-11H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318917
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC(O)C1 Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(40)16-39)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318921
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC[C@@H]1CO |r| Show InChI InChI=1S/C30H30ClF6N3O2/c1-28(2,18-12-19(29(32,33)34)14-20(13-18)30(35,36)37)27(42)39(3)25-16-38-26(40-11-7-6-8-21(40)17-41)15-23(25)22-9-4-5-10-24(22)31/h4-5,9-10,12-16,21,41H,6-8,11,17H2,1-3H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318926
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES COC[C@@H]1C[C@H](CN1c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl)OC |r| Show InChI InChI=1S/C31H32ClF6N3O3/c1-29(2,18-10-19(30(33,34)35)12-20(11-18)31(36,37)38)28(42)40(3)26-15-39-27(14-24(26)23-8-6-7-9-25(23)32)41-16-22(44-5)13-21(41)17-43-4/h6-12,14-15,21-22H,13,16-17H2,1-5H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318929
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES COCCNc1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(38)37(3)22-15-36-23(35-9-10-39-4)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15H,9-10H2,1-4H3,(H,35,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 93.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
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