Found 42 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)) | BDBM50049469
(5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES FC(F)(F)c1cc(CO[C@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H20F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-35-19-18(14-4-2-1-3-5-14)32(6-7-34-19)11-17-29-20(33)31-30-17/h1-5,8-10,18-19H,6-7,11-12H2,(H2,29,30,31,33)/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220136
(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190829
((+/-)-trans-(3-(3,5-bis(trifluoromethyl)benzyloxy)...)Show SMILES OC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C21H20F6O2/c22-20(23,24)16-8-13(9-17(10-16)21(25,26)27)12-29-18-7-6-15(11-28)19(18)14-4-2-1-3-5-14/h1-5,8-10,15,18-19,28H,6-7,11-12H2/t15-,18-,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 | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190823
(CHEMBL212931 | trans-(S)-5-(((3-(3,5-bis(trifluoro...)Show SMILES CN(C[C@@H]1CCC(=O)N1)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C26H28F6N2O2/c1-34(14-20-7-10-23(35)33-20)21-8-9-22(24(21)17-5-3-2-4-6-17)36-15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h2-6,11-13,20-22,24H,7-10,14-15H2,1H3,(H,33,35)/t20-,21+,22-,24-/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 | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190847
((+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES CN[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C21H21F6NO/c1-28-17-7-8-18(19(17)14-5-3-2-4-6-14)29-12-13-9-15(20(22,23)24)11-16(10-13)21(25,26)27/h2-6,9-11,17-19,28H,7-8,12H2,1H3/t17-,18+,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 | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190820
((+/-)-trans-methyl-3-(3,5-bis(trifluoromethyl)benz...)Show SMILES COC(=O)N[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C22H21F6NO3/c1-31-20(30)29-17-7-8-18(19(17)14-5-3-2-4-6-14)32-12-13-9-15(21(23,24)25)11-16(10-13)22(26,27)28/h2-6,9-11,17-19H,7-8,12H2,1H3,(H,29,30)/t17-,18+,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 | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190814
((+/-)-trans-2-(3-(3,5-bis(trifluoromethyl)benzylox...)Show SMILES NC(=O)CN[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18+,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 | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190814
((+/-)-trans-2-(3-(3,5-bis(trifluoromethyl)benzylox...)Show SMILES NC(=O)CN[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18+,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 | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190822
((+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES CN(Cc1nnc[nH]1)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C24H24F6N4O/c1-34(12-21-31-14-32-33-21)19-7-8-20(22(19)16-5-3-2-4-6-16)35-13-15-9-17(23(25,26)27)11-18(10-15)24(28,29)30/h2-6,9-11,14,19-20,22H,7-8,12-13H2,1H3,(H,31,32,33)/t19-,20+,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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190842
(CHEMBL377881 | trans-(S)-5-((3-(3,5-bis(trifluorom...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@@H](NC[C@@H]3CCC(=O)N3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O2/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)14-35-21-8-7-20(23(21)16-4-2-1-3-5-16)32-13-19-6-9-22(34)33-19/h1-5,10-12,19-21,23,32H,6-9,13-14H2,(H,33,34)/t19-,20+,21-,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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190833
((+-)-trans-(3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES CNC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C22H23F6NO/c1-29-12-16-7-8-19(20(16)15-5-3-2-4-6-15)30-13-14-9-17(21(23,24)25)11-18(10-14)22(26,27)28/h2-6,9-11,16,19-20,29H,7-8,12-13H2,1H3/t16-,19-,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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190812
((+/-)-trans-2-((3-(3,5-bis(trifluoromethyl)benzylo...)Show SMILES NC(=O)CNC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c24-22(25,26)17-8-14(9-18(10-17)23(27,28)29)13-33-19-7-6-16(11-31-12-20(30)32)21(19)15-4-2-1-3-5-15/h1-5,8-10,16,19,21,31H,6-7,11-13H2,(H2,30,32)/t16-,19-,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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190838
((+/-)-trans-2-(((3-(3,5-bis(trifluoromethyl)benzyl...)Show SMILES CN(C[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1)CC(N)=O Show InChI InChI=1S/C24H26F6N2O2/c1-32(13-21(31)33)12-17-7-8-20(22(17)16-5-3-2-4-6-16)34-14-15-9-18(23(25,26)27)11-19(10-15)24(28,29)30/h2-6,9-11,17,20,22H,7-8,12-14H2,1H3,(H2,31,33)/t17-,20-,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
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190846
((+/-)-trans-5-((((3-(3,5-bis(trifluoromethyl)benzy...)Show SMILES CN(C[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1 Show InChI InChI=1S/C25H26F6N4O2/c1-35(13-21-32-23(36)34-33-21)12-17-7-8-20(22(17)16-5-3-2-4-6-16)37-14-15-9-18(24(26,27)28)11-19(10-15)25(29,30)31/h2-6,9-11,17,20,22H,7-8,12-14H2,1H3,(H2,32,33,34,36)/t17-,20-,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
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190815
((+/-)-cis-2-((3-(3,5-bis(trifluoromethyl)benzyloxy...)Show SMILES CN(CC(N)=O)[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c1-31(12-20(30)32)18-7-8-19(21(18)15-5-3-2-4-6-15)33-13-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h2-6,9-11,18-19,21H,7-8,12-13H2,1H3,(H2,30,32)/t18-,19-,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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190843
((+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES N[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-28-17-7-6-16(27)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11,27H2/t16-,17+,18+/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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190843
((+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES N[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-28-17-7-6-16(27)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11,27H2/t16-,17+,18+/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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190827
((+/-)-trans-4-(((3-(3,5-bis(trifluoromethyl)benzyl...)Show SMILES CN(Cc1c[nH]c(=O)[nH]1)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C25H25F6N3O2/c1-34(13-19-12-32-23(35)33-19)20-7-8-21(22(20)16-5-3-2-4-6-16)36-14-15-9-17(24(26,27)28)11-18(10-15)25(29,30)31/h2-6,9-12,20-22H,7-8,13-14H2,1H3,(H2,32,33,35)/t20-,21+,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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190813
((+-)-trans-(3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES NC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)16-8-13(9-17(10-16)21(25,26)27)12-29-18-7-6-15(11-28)19(18)14-4-2-1-3-5-14/h1-5,8-10,15,18-19H,6-7,11-12,28H2/t15-,18-,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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190835
((+/-)-trans-1-(3-(3,5-bis(trifluoromethyl)benzylox...)Show SMILES CNC(=O)N[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c1-29-20(31)30-17-7-8-18(19(17)14-5-3-2-4-6-14)32-12-13-9-15(21(23,24)25)11-16(10-13)22(26,27)28/h2-6,9-11,17-19H,7-8,12H2,1H3,(H2,29,30,31)/t17-,18+,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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190836
((+/-)-trans-2-((3-(3,5-bis(trifluoromethyl)benzylo...)Show SMILES CN(CC(N)=O)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c1-31(12-20(30)32)18-7-8-19(21(18)15-5-3-2-4-6-15)33-13-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h2-6,9-11,18-19,21H,7-8,12-13H2,1H3,(H2,30,32)/t18-,19+,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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190825
((+/-)-trans-1-(3-(3,5-bis(trifluoromethyl)benzylox...)Show SMILES NC(=O)N[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C21H20F6N2O2/c22-20(23,24)14-8-12(9-15(10-14)21(25,26)27)11-31-17-7-6-16(29-19(28)30)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11H2,(H3,28,29,30)/t16-,17+,18+/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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190818
((+/-)-cis-5-((((3-(3,5-bis(trifluoromethyl)benzylo...)Show SMILES CN(C[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1 Show InChI InChI=1S/C25H26F6N4O2/c1-35(13-21-32-23(36)34-33-21)12-17-7-8-20(22(17)16-5-3-2-4-6-16)37-14-15-9-18(24(26,27)28)11-19(10-15)25(29,30)31/h2-6,9-11,17,20,22H,7-8,12-14H2,1H3,(H2,32,33,34,36)/t17-,20+,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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190816
((+/-)-trans-5-(((2-(3-(3,5-bis(trifluoromethyl)ben...)Show SMILES CN(CC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1 Show InChI InChI=1S/C26H28F6N4O2/c1-36(14-22-33-24(37)35-34-22)10-9-18-7-8-21(23(18)17-5-3-2-4-6-17)38-15-16-11-19(25(27,28)29)13-20(12-16)26(30,31)32/h2-6,11-13,18,21,23H,7-10,14-15H2,1H3,(H2,33,34,35,37)/t18-,21-,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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190841
((+/-)-trans-1-((3-(3,5-bis(trifluoromethyl)benzylo...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@@H](CN3CCCCC3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H29F6NO/c27-25(28,29)21-13-18(14-22(15-21)26(30,31)32)17-34-23-10-9-20(16-33-11-5-2-6-12-33)24(23)19-7-3-1-4-8-19/h1,3-4,7-8,13-15,20,23-24H,2,5-6,9-12,16-17H2/t20-,23-,24-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190840
((+/-)-trans-3-(3-(3,5-bis(trifluoromethyl)benzylox...)Show SMILES CN(C)C(=O)N[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c1-31(2)21(32)30-18-8-9-19(20(18)15-6-4-3-5-7-15)33-13-14-10-16(22(24,25)26)12-17(11-14)23(27,28)29/h3-7,10-12,18-20H,8-9,13H2,1-2H3,(H,30,32)/t18-,19+,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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190821
((+/-)-trans-4-((3-(3,5-bis(trifluoromethyl)benzylo...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@@H](NCc3c[nH]c(=O)[nH]3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F6N3O2/c25-23(26,27)16-8-14(9-17(10-16)24(28,29)30)13-35-20-7-6-19(21(20)15-4-2-1-3-5-15)31-11-18-12-32-22(34)33-18/h1-5,8-10,12,19-21,31H,6-7,11,13H2,(H2,32,33,34)/t19-,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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190845
((+/-)-cis-methyl-3-(3,5-bis(trifluoromethyl)benzyl...)Show SMILES COC(=O)N[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H21F6NO3/c1-31-20(30)29-17-7-8-18(19(17)14-5-3-2-4-6-14)32-12-13-9-15(21(23,24)25)11-16(10-13)22(26,27)28/h2-6,9-11,17-19H,7-8,12H2,1H3,(H,29,30)/t17-,18-,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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190831
((+/-)-trans-methyl-3-(3,5-bis(trifluoromethyl)benz...)Show SMILES COC(=O)N(C)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C23H23F6NO3/c1-30(21(31)32-2)18-8-9-19(20(18)15-6-4-3-5-7-15)33-13-14-10-16(22(24,25)26)12-17(11-14)23(27,28)29/h3-7,10-12,18-20H,8-9,13H2,1-2H3/t18-,19+,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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190834
((+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES NC(=O)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C21H19F6NO2/c22-20(23,24)14-8-12(9-15(10-14)21(25,26)27)11-30-17-7-6-16(19(28)29)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11H2,(H2,28,29)/t16-,17+,18+/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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190817
((+/-)-cis-3-(3,5-bis(trifluoromethyl)benzyloxy)-N-...)Show SMILES CN[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C21H21F6NO/c1-28-17-7-8-18(19(17)14-5-3-2-4-6-14)29-12-13-9-15(20(22,23)24)11-16(10-13)21(25,26)27/h2-6,9-11,17-19,28H,7-8,12H2,1H3/t17-,18-,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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190844
((+/-)-cis-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-...)Show SMILES N[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-28-17-7-6-16(27)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11,27H2/t16-,17-,18+/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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190848
((+/-)-trans-4-((3-(3,5-bis(trifluoromethyl)benzylo...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@@H](CN3CCOCC3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H27F6NO2/c26-24(27,28)20-12-17(13-21(14-20)25(29,30)31)16-34-22-7-6-19(15-32-8-10-33-11-9-32)23(22)18-4-2-1-3-5-18/h1-5,12-14,19,22-23H,6-11,15-16H2/t19-,22-,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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190837
((+/-)-cis-2-(3-(3,5-bis(trifluoromethyl)benzyloxy)...)Show SMILES NC(=O)CN[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18-,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 | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190826
((+/-)-cis-1-(3-(3,5-bis(trifluoromethyl)benzyloxy)...)Show SMILES NC(=O)N[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C21H20F6N2O2/c22-20(23,24)14-8-12(9-15(10-14)21(25,26)27)11-31-17-7-6-16(29-19(28)30)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11H2,(H3,28,29,30)/t16-,17-,18+/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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190832
((+/-)-trans-1-(3-(3,5-bis(trifluoromethyl)benzylox...)Show SMILES CN(C)C(=O)N(C)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C24H26F6N2O2/c1-31(2)22(33)32(3)19-9-10-20(21(19)16-7-5-4-6-8-16)34-14-15-11-17(23(25,26)27)13-18(12-15)24(28,29)30/h4-8,11-13,19-21H,9-10,14H2,1-3H3/t19-,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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190828
((+/-)-trans-benzyl-3-(3,5-bis(trifluoromethyl)benz...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H25F6NO3/c29-27(30,31)21-13-19(14-22(15-21)28(32,33)34)17-37-24-12-11-23(25(24)20-9-5-2-6-10-20)35-26(36)38-16-18-7-3-1-4-8-18/h1-10,13-15,23-25H,11-12,16-17H2,(H,35,36)/t23-,24+,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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190824
(CHEMBL379744 | trans-2-(3-(3,5-bis(trifluoromethyl...)Show SMILES NC(=O)CN[C@H]1CC[C@@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18+,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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190830
((+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-...)Show SMILES OC(=O)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1 Show InChI InChI=1S/C21H18F6O3/c22-20(23,24)14-8-12(9-15(10-14)21(25,26)27)11-30-17-7-6-16(19(28)29)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11H2,(H,28,29)/t16-,17+,18+/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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190849
(CHEMBL424883 | trans-3-(3,5-bis(trifluoromethyl)be...)Show SMILES N[C@H]1CC[C@@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-28-17-7-6-16(27)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11,27H2/t16-,17+,18+/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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190839
(CHEMBL214435 | trans-(S)-5-((3-(3,5-bis(trifluorom...)Show SMILES FC(F)(F)c1cc(CO[C@@H]2CC[C@H](NC[C@@H]3CCC(=O)N3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O2/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)14-35-21-8-7-20(23(21)16-4-2-1-3-5-16)32-13-19-6-9-22(34)33-19/h1-5,10-12,19-21,23,32H,6-9,13-14H2,(H,33,34)/t19-,20-,21+,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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50190819
((+/-)-cis-benzyl-3-(3,5-bis(trifluoromethyl)benzyl...)Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@H](NC(=O)OCc3ccccc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H25F6NO3/c29-27(30,31)21-13-19(14-22(15-21)28(32,33)34)17-37-24-12-11-23(25(24)20-9-5-2-6-10-20)35-26(36)38-16-18-7-3-1-4-8-18/h1-10,13-15,23-25H,11-12,16-17H2,(H,35,36)/t23-,24-,25+/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 4497-503 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.035
BindingDB Entry DOI: 10.7270/Q21J99DZ |
More data for this
Ligand-Target Pair | |
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