Found 59 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)) | BDBM50327374
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H24F7NO3/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-34-23(19-9-18(35)10-20(19)24(34)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23,35H,9-11H2,1H3/t12-,18+,19-,20+,21+,22-,23+/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 | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50313627
((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/m1/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 | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50234162
((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/t12-,18+,19+,21+/m1/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 | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 0.0610 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327383
((1S,2R,5aS,7R,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 0.0660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327375
((1S,2R,5aS,7R,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H24F7NO3/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-34-23(19-9-18(35)10-20(19)24(34)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23,35H,9-11H2,1H3/t12-,18-,19-,20+,21+,22-,23+/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 | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327389
((1S,2R,5aS,7S,8aR,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](N)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18+,19-,20+,21+,22-,23+/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 | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50313624
((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/m1/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]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327388
((1S,2R,5aS,7R,8aR,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](N)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18-,19-,20+,21+,22-,23+/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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327378
((1S,2R,5aS,7R,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25-,26-,27+,28+,29-,30+/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 | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327377
((1S,2R,5aR,7S,8aS,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@@H](C[C@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25+,26+,27-,28+,29-,30+/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 | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327386
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES CC[C@]1(O)C[C@@H]2[C@H](C1)C(=O)N1C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@H]21)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H28F7NO3/c1-3-26(38)11-20-21(12-26)25(37)36-13-22(23(24(20)36)15-4-6-19(29)7-5-15)39-14(2)16-8-17(27(30,31)32)10-18(9-16)28(33,34)35/h4-10,14,20-24,38H,3,11-13H2,1-2H3/t14-,20-,21+,22+,23-,24+,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 | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327379
((1S,2R,5aS,7S,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25+,26-,27+,28+,29-,30+/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 | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327382
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CN(CC3C2=O)C2=CC(=O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:16| Show InChI InChI=1S/C30H27F7N2O3/c1-15(17-8-18(29(32,33)34)10-19(9-17)30(35,36)37)42-25-14-39-27(26(25)16-2-4-20(31)5-3-16)23-12-38(13-24(23)28(39)41)21-6-7-22(40)11-21/h2-5,8-11,15,23-27H,6-7,12-14H2,1H3/t15-,23?,24?,25+,26-,27+/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 | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327382
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CN(CC3C2=O)C2=CC(=O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:16| Show InChI InChI=1S/C30H27F7N2O3/c1-15(17-8-18(29(32,33)34)10-19(9-17)30(35,36)37)42-25-14-39-27(26(25)16-2-4-20(31)5-3-16)23-12-38(13-24(23)28(39)41)21-6-7-22(40)11-21/h2-5,8-11,15,23-27H,6-7,12-14H2,1H3/t15-,23?,24?,25+,26-,27+/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 | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327385
((1S,2R,5aS,7R,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES CC[C@@]1(O)C[C@@H]2[C@H](C1)C(=O)N1C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@H]21)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H28F7NO3/c1-3-26(38)11-20-21(12-26)25(37)36-13-22(23(24(20)36)15-4-6-19(29)7-5-15)39-14(2)16-8-17(27(30,31)32)10-18(9-16)28(33,34)35/h4-10,14,20-24,38H,3,11-13H2,1-2H3/t14-,20-,21+,22+,23-,24+,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 | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50313627
((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/m1/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 | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% rhesus monkey serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% rat serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50313624
((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/m1/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327387
((1S,2R,5aR,7R,8aS,8bS)-7-amino-2-((S)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@H](N)C[C@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18+,19+,20-,21+,22-,23+/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 | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327374
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H24F7NO3/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-34-23(19-9-18(35)10-20(19)24(34)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23,35H,9-11H2,1H3/t12-,18+,19-,20+,21+,22-,23+/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 | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327388
((1S,2R,5aS,7R,8aR,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](N)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18-,19-,20+,21+,22-,23+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327389
((1S,2R,5aS,7S,8aR,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](N)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18+,19-,20+,21+,22-,23+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327376
((1S,2R,5aR,7R,8aS,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@H](C[C@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25-,26+,27-,28+,29-,30+/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327383
((1S,2R,5aS,7R,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327378
((1S,2R,5aS,7R,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25-,26-,27+,28+,29-,30+/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327380
((1S,2R,5aR,7R,8aS,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@@H](N)C[C@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18-,19+,20-,21+,22-,23+/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327381
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CNCC3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H23F7N2O2/c1-12(14-6-15(24(27,28)29)8-16(7-14)25(30,31)32)36-20-11-34-22(18-9-33-10-19(18)23(34)35)21(20)13-2-4-17(26)5-3-13/h2-8,12,18-22,33H,9-11H2,1H3/t12-,18?,19?,20+,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 | 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]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 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]substance P from human NK1 receptor expressed in CHO cells in presence of 50% dog serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327381
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CNCC3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H23F7N2O2/c1-12(14-6-15(24(27,28)29)8-16(7-14)25(30,31)32)36-20-11-34-22(18-9-33-10-19(18)23(34)35)21(20)13-2-4-17(26)5-3-13/h2-8,12,18-22,33H,9-11H2,1H3/t12-,18?,19?,20+,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 | 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]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327386
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES CC[C@]1(O)C[C@@H]2[C@H](C1)C(=O)N1C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@H]21)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H28F7NO3/c1-3-26(38)11-20-21(12-26)25(37)36-13-22(23(24(20)36)15-4-6-19(29)7-5-15)39-14(2)16-8-17(27(30,31)32)10-18(9-16)28(33,34)35/h4-10,14,20-24,38H,3,11-13H2,1-2H3/t14-,20-,21+,22+,23-,24+,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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327375
((1S,2R,5aS,7R,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H24F7NO3/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-34-23(19-9-18(35)10-20(19)24(34)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23,35H,9-11H2,1H3/t12-,18-,19-,20+,21+,22-,23+/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327379
((1S,2R,5aS,7S,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25+,26-,27+,28+,29-,30+/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327382
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CN(CC3C2=O)C2=CC(=O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:16| Show InChI InChI=1S/C30H27F7N2O3/c1-15(17-8-18(29(32,33)34)10-19(9-17)30(35,36)37)42-25-14-39-27(26(25)16-2-4-20(31)5-3-16)23-12-38(13-24(23)28(39)41)21-6-7-22(40)11-21/h2-5,8-11,15,23-27H,6-7,12-14H2,1H3/t15-,23?,24?,25+,26-,27+/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327382
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CN(CC3C2=O)C2=CC(=O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:16| Show InChI InChI=1S/C30H27F7N2O3/c1-15(17-8-18(29(32,33)34)10-19(9-17)30(35,36)37)42-25-14-39-27(26(25)16-2-4-20(31)5-3-16)23-12-38(13-24(23)28(39)41)21-6-7-22(40)11-21/h2-5,8-11,15,23-27H,6-7,12-14H2,1H3/t15-,23?,24?,25+,26-,27+/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 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]substance P from human NK1 receptor expressed in CHO cells in presence of 50% mongolian gerbil serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50234162
((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/t12-,18+,19+,21+/m1/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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327377
((1S,2R,5aR,7S,8aS,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@@H](C[C@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25+,26+,27-,28+,29-,30+/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]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327385
((1S,2R,5aS,7R,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES CC[C@@]1(O)C[C@@H]2[C@H](C1)C(=O)N1C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@H]21)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H28F7NO3/c1-3-26(38)11-20-21(12-26)25(37)36-13-22(23(24(20)36)15-4-6-19(29)7-5-15)39-14(2)16-8-17(27(30,31)32)10-18(9-16)28(33,34)35/h4-10,14,20-24,38H,3,11-13H2,1-2H3/t14-,20-,21+,22+,23-,24+,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 | 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]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327381
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CNCC3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H23F7N2O2/c1-12(14-6-15(24(27,28)29)8-16(7-14)25(30,31)32)36-20-11-34-22(18-9-33-10-19(18)23(34)35)21(20)13-2-4-17(26)5-3-13/h2-8,12,18-22,33H,9-11H2,1H3/t12-,18?,19?,20+,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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327381
((7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C3CNCC3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H23F7N2O2/c1-12(14-6-15(24(27,28)29)8-16(7-14)25(30,31)32)36-20-11-34-22(18-9-33-10-19(18)23(34)35)21(20)13-2-4-17(26)5-3-13/h2-8,12,18-22,33H,9-11H2,1H3/t12-,18?,19?,20+,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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327376
((1S,2R,5aR,7R,8aS,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@H](C[C@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25-,26+,27-,28+,29-,30+/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327387
((1S,2R,5aR,7R,8aS,8bS)-7-amino-2-((S)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@H](N)C[C@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18+,19+,20-,21+,22-,23+/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50327380
((1S,2R,5aR,7R,8aS,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@H]3C[C@@H](N)C[C@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18-,19+,20-,21+,22-,23+/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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50327386
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES CC[C@]1(O)C[C@@H]2[C@H](C1)C(=O)N1C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@H]21)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H28F7NO3/c1-3-26(38)11-20-21(12-26)25(37)36-13-22(23(24(20)36)15-4-6-19(29)7-5-15)39-14(2)16-8-17(27(30,31)32)10-18(9-16)28(33,34)35/h4-10,14,20-24,38H,3,11-13H2,1-2H3/t14-,20-,21+,22+,23-,24+,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50327374
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H24F7NO3/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-34-23(19-9-18(35)10-20(19)24(34)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23,35H,9-11H2,1H3/t12-,18+,19-,20+,21+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50234162
((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/t12-,18+,19+,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,25+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50313627
((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50327378
((1S,2R,5aS,7R,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25-,26-,27+,28+,29-,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50327379
((1S,2R,5aS,7S,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C33H31F7N2O2/c1-18(21-11-22(32(35,36)37)13-23(12-21)33(38,39)40)44-28-17-42-30(29(28)20-7-9-24(34)10-8-20)26-14-25(15-27(26)31(42)43)41-16-19-5-3-2-4-6-19/h2-13,18,25-30,41H,14-17H2,1H3/t18-,25+,26-,27+,28+,29-,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50327389
((1S,2R,5aS,7S,8aR,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@H](N)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18+,19-,20+,21+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50313624
((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50327388
((1S,2R,5aS,7R,8aR,8bS)-7-amino-2-((R)-1-(3,5-bis(t...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](N)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H25F7N2O2/c1-12(14-6-15(25(28,29)30)8-16(7-14)26(31,32)33)37-21-11-35-23(19-9-18(34)10-20(19)24(35)36)22(21)13-2-4-17(27)5-3-13/h2-8,12,18-23H,9-11,34H2,1H3/t12-,18-,19-,20+,21+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PXR induction |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50327384
((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H26F7NO3/c1-13(15-7-16(26(29,30)31)9-17(8-15)27(32,33)34)38-21-12-35-23(22(21)14-3-5-18(28)6-4-14)19-10-25(2,37)11-20(19)24(35)36/h3-9,13,19-23,37H,10-12H2,1-2H3/t13-,19-,20+,21+,22-,23+,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 | 4.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 5925-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.058 BindingDB Entry DOI: 10.7270/Q2668DFC |
More data for this Ligand-Target Pair | |