Found 4691 hits with Last Name = 'burns' and Initial = 'd' 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 |
|---|
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50084137
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3 | PDB
MMDB
Reactome pathway
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PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50277511
(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human NK3 receptor |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50277511
(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human NK2 receptor |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50030629
((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...)Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14) | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50030630
((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...)Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16) | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(RAT) | BDBM86153
(CAS_180081 | MK-801 | NSC_180081)Show SMILES CC12NC(Cc3ccccc13)c1ccccc21 |TLB:9:10:2:11.16,6:5:2:11.16,THB:12:11:10.5.4:2,15:16:10.5.4:2| Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3 | PDB
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| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Rattus norvegicus (Rat)) | BDBM50032651
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1 | PDB
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| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM86230
(CAS_146-48-5 | NSC_2866 | YOHIMBINE)Show SMILES COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3 | PDB
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| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
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| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM86232
(Benoxathian | CAS_2325 | NSC_2325)Show InChI InChI=1S/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3 | PDB
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| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | PDB
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| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50277511
(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1 | PDB
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| 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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218239
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES CC(C)NC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C24H25F7N2O2/c1-13(2)32-22(34)33-11-20(15-4-6-19(25)7-5-15)21(12-33)35-14(3)16-8-17(23(26,27)28)10-18(9-16)24(29,30)31/h4-10,13-14,20-21H,11-12H2,1-3H3,(H,32,34)/t14-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
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| 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 & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218240
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:16| Show InChI InChI=1S/C25H23F6NO2/c1-15(17-9-18(24(26,27)28)11-19(10-17)25(29,30)31)34-23-14-32(20-7-8-21(33)12-20)13-22(23)16-5-3-2-4-6-16/h2-6,9-12,15,22-23H,7-8,13-14H2,1H3/t15-,22+,23-/m1/s1 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218225
(1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)ph...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H29F7N2O3/c1-16(20-11-21(27(30,31)32)13-22(12-20)28(33,34)35)40-25-15-37(14-24(25)18-3-5-23(29)6-4-18)26(39)19-7-9-36(10-8-19)17(2)38/h3-6,11-13,16,19,24-25H,7-10,14-15H2,1-2H3/t16-,24+,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218213
(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H20F7NO2/c1-12(15-7-16(21(24,25)26)9-17(8-15)22(27,28)29)32-20-11-30(13(2)31)10-19(20)14-3-5-18(23)6-4-14/h3-9,12,19-20H,10-11H2,1-2H3/t12-,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 | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50277568
((3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromethyl...)Show SMILES CNC(=O)N1C[C@H]2CC[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]2C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H27F7N2O2/c1-14(17-9-18(25(28,29)30)11-19(10-17)26(31,32)33)37-22-8-5-16-12-35(24(36)34-2)13-21(16)23(22)15-3-6-20(27)7-4-15/h3-4,6-7,9-11,14,16,21-23H,5,8,12-13H2,1-2H3,(H,34,36)/t14-,16-,21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| 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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218224
(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES CCC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C23H22F7NO2/c1-3-21(32)31-11-19(14-4-6-18(24)7-5-14)20(12-31)33-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h4-10,13,19-20H,3,11-12H2,1-2H3/t13-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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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 & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218220
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)C(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-7-21(11-23(14)35)34-12-22(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-8-18(25(28,29)30)10-19(9-17)26(31,32)33/h3-6,8-11,14-15,22,24H,7,12-13H2,1-2H3/t14?,15-,22+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218220
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)C(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-7-21(11-23(14)35)34-12-22(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-8-18(25(28,29)30)10-19(9-17)26(31,32)33/h3-6,8-11,14-15,22,24H,7,12-13H2,1-2H3/t14?,15-,22+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218235
(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H21F6NO2/c1-13(16-8-17(21(23,24)25)10-18(9-16)22(26,27)28)31-20-12-29(14(2)30)11-19(20)15-6-4-3-5-7-15/h3-10,13,19-20H,11-12H2,1-2H3/t13-,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 | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50277571
(3-[(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=C(C)C(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:22| Show InChI InChI=1S/C30H30F7NO2/c1-16-25(8-9-26(16)39)38-14-19-5-10-27(28(24(19)15-38)18-3-6-23(31)7-4-18)40-17(2)20-11-21(29(32,33)34)13-22(12-20)30(35,36)37/h3-4,6-7,11-13,17,19,24,27-28H,5,8-10,14-15H2,1-2H3/t17-,19-,24-,27+,28+/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 | 0.100 | 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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218212
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES CCNC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C23H23F7N2O2/c1-3-31-21(33)32-11-19(14-4-6-18(24)7-5-14)20(12-32)34-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h4-10,13,19-20H,3,11-12H2,1-2H3,(H,31,33)/t13-,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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50277569
((4R,5S)-2-Acetyl-5-{(1R)-1-[3,5-bis(trifluoromethy...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7NO2/c1-14(18-9-19(25(28,29)30)11-20(10-18)26(31,32)33)36-23-8-5-17-12-34(15(2)35)13-22(17)24(23)16-3-6-21(27)7-4-16/h3-4,6-7,9-11,14,17,22-24H,5,8,12-13H2,1-2H3/t14-,17-,22-,23+,24+/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 | 0.110 | 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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218226
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)CC1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-7-21(35)11-23(14)34-12-22(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-8-18(25(28,29)30)10-19(9-17)26(31,32)33/h3-6,8-11,14-15,22,24H,7,12-13H2,1-2H3/t14?,15-,22+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218217
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES CNC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C22H21F7N2O2/c1-12(14-7-15(21(24,25)26)9-16(8-14)22(27,28)29)33-19-11-31(20(32)30-2)10-18(19)13-3-5-17(23)6-4-13/h3-9,12,18-19H,10-11H2,1-2H3,(H,30,32)/t12-,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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218227
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C25H22F7NO2/c1-14(16-8-17(24(27,28)29)10-18(9-16)25(30,31)32)35-23-13-33(20-6-7-21(34)11-20)12-22(23)15-2-4-19(26)5-3-15/h2-5,8-11,14,22-23H,6-7,12-13H2,1H3/t14-,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 & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218233
((S)-5-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)p...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)N1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H25F7N2O3/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)38-22-13-35(24(37)21-7-8-23(36)34(21)2)12-20(22)15-3-5-19(27)6-4-15/h3-6,9-11,14,20-22H,7-8,12-13H2,1-2H3/t14-,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 | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218230
(((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)c1cnc(C)cn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H22F7N3O2/c1-14-10-35-22(11-34-14)24(37)36-12-21(16-3-5-20(27)6-4-16)23(13-36)38-15(2)17-7-18(25(28,29)30)9-19(8-17)26(31,32)33/h3-11,15,21,23H,12-13H2,1-2H3/t15-,21+,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218231
(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)N(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C25H23F7N2O2/c1-14(16-7-17(24(27,28)29)9-18(8-16)25(30,31)32)36-22-13-34(20-10-23(35)33(2)11-20)12-21(22)15-3-5-19(26)6-4-15/h3-10,14,21-22H,11-13H2,1-2H3/t14-,21+,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218222
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=C(C)C(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-22(7-8-23(14)35)34-12-21(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-9-18(25(28,29)30)11-19(10-17)26(31,32)33/h3-6,9-11,15,21,24H,7-8,12-13H2,1-2H3/t15-,21+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50277572
(3-[(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C30H30F7NO2/c1-17(20-11-21(29(32,33)34)13-22(12-20)30(35,36)37)40-27-10-7-19-15-38(24-3-2-4-25(39)14-24)16-26(19)28(27)18-5-8-23(31)9-6-18/h5-6,8-9,11-14,17,19,26-28H,2-4,7,10,15-16H2,1H3/t17-,19-,26-,27+,28+/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 | 0.130 | 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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218234
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)CC(C)(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:16| Show InChI InChI=1S/C28H29F6NO2/c1-17(19-9-20(27(29,30)31)11-21(10-19)28(32,33)34)37-25-16-35(15-24(25)18-7-5-4-6-8-18)22-12-23(36)14-26(2,3)13-22/h4-12,17,24-25H,13-16H2,1-3H3/t17-,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 | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218218
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H27F7N2O2/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)36-21-13-34(22(35)33-23(2,3)4)12-20(21)15-5-7-19(26)8-6-15/h5-11,14,20-21H,12-13H2,1-4H3,(H,33,35)/t14-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50277510
((3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromethyl...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CNC[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F7NO/c1-13(16-8-17(23(26,27)28)10-18(9-16)24(29,30)31)33-21-7-4-15-11-32-12-20(15)22(21)14-2-5-19(25)6-3-14/h2-3,5-6,8-10,13,15,20-22,32H,4,7,11-12H2,1H3/t13-,15-,20-,21+,22+/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 | 0.150 | 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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218221
(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES CC(C)C(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C24H24F7NO2/c1-13(2)22(33)32-11-20(15-4-6-19(25)7-5-15)21(12-32)34-14(3)16-8-17(23(26,27)28)10-18(9-16)24(29,30)31/h4-10,13-14,20-21H,11-12H2,1-3H3/t14-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218215
(((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)N1CCOCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O3/c1-16(18-11-19(24(26,27)28)13-20(12-18)25(29,30)31)36-22-15-33(23(34)32-7-9-35-10-8-32)14-21(22)17-5-3-2-4-6-17/h2-6,11-13,16,21-22H,7-10,14-15H2,1H3/t16-,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 | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218232
(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)OC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C24H20F7NO3/c1-13(15-6-16(23(26,27)28)8-17(7-15)24(29,30)31)35-21-11-32(19-9-22(33)34-12-19)10-20(21)14-2-4-18(25)5-3-14/h2-9,13,20-21H,10-12H2,1H3/t13-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218216
(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)C(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H27F6NO2/c1-15(17-10-18(24(26,27)28)12-19(11-17)25(29,30)31)34-21-14-32(22(33)23(2,3)4)13-20(21)16-8-6-5-7-9-16/h5-12,15,20-21H,13-14H2,1-4H3/t15-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218228
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)C(C)(C)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:16| Show InChI InChI=1S/C28H29F6NO2/c1-17(19-11-20(27(29,30)31)13-21(12-19)28(32,33)34)37-24-16-35(15-23(24)18-7-5-4-6-8-18)22-9-10-26(2,3)25(36)14-22/h4-8,11-14,17,23-24H,9-10,15-16H2,1-3H3/t17-,23+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218214
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H18F7NO2/c1-12(14-6-15(20(23,24)25)8-16(7-14)21(26,27)28)31-19-10-29(11-30)9-18(19)13-2-4-17(22)5-3-13/h2-8,11-12,18-19H,9-10H2,1H3/t12-,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 | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50277567
((4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7NO/c1-14(17-9-18(24(27,28)29)11-19(10-17)25(30,31)32)34-22-8-5-16-12-33(2)13-21(16)23(22)15-3-6-20(26)7-4-15/h3-4,6-7,9-11,14,16,21-23H,5,8,12-13H2,1-2H3/t14-,16-,21-,22+,23+/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 | 0.255 | 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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells |
J Med Chem 50: 3427-30 (2007)
Article DOI: 10.1021/jm070131b
BindingDB Entry DOI: 10.7270/Q2Z037VJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218229
(1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)ph...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H28F7N3O3/c1-16(19-11-20(26(29,30)31)13-21(12-19)27(32,33)34)40-24-15-37(14-23(24)18-3-5-22(28)6-4-18)25(39)36-9-7-35(8-10-36)17(2)38/h3-6,11-13,16,23-24H,7-10,14-15H2,1-2H3/t16-,23+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218237
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1CC(=O)C(=O)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H22F7NO3/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)36-23-12-33(19-9-21(34)22(35)10-19)11-20(23)14-2-4-18(26)5-3-14/h2-8,13,19-20,23H,9-12H2,1H3/t13-,20+,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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218237
(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1CC(=O)C(=O)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H22F7NO3/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)36-23-12-33(19-9-21(34)22(35)10-19)11-20(23)14-2-4-18(26)5-3-14/h2-8,13,19-20,23H,9-12H2,1H3/t13-,20+,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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218219
((S)-4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)p...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)[C@@H]1COC(=O)N1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H21F7N2O4/c1-12(14-6-15(23(26,27)28)8-16(7-14)24(29,30)31)37-20-10-33(21(34)19-11-36-22(35)32-19)9-18(20)13-2-4-17(25)5-3-13/h2-8,12,18-20H,9-11H2,1H3,(H,32,35)/t12-,18+,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 | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218236
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H23F7N2O2/c1-13(15-8-16(22(25,26)27)10-17(9-15)23(28,29)30)34-20-12-32(21(33)31(2)3)11-19(20)14-4-6-18(24)7-5-14/h4-10,13,19-20H,11-12H2,1-3H3/t13-,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 | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50218223
(((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...)Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H23F10N5O2/c1-14(16-8-17(25(29,30)31)10-18(9-16)26(32,33)34)44-21-12-41(11-20(21)15-2-4-19(28)5-3-15)24(43)40-6-7-42-22(13-40)38-39-23(42)27(35,36)37/h2-5,8-10,14,20-21H,6-7,11-13H2,1H3/t14-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5191-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50217220
(CHEMBL226590 | N-{(1S,2S)-2-(3-cyanophenyl)-3-[4-(...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cc(C)ccn1)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C29H32FN3O3/c1-20-12-14-32-27(16-20)36-29(3,4)28(34)33-21(2)26(24-7-5-6-23(17-24)19-31)18-22-8-10-25(11-9-22)35-15-13-30/h5-12,14,16-17,21,26H,13,15,18H2,1-4H3,(H,33,34)/t21-,26+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells |
J Med Chem 50: 3427-30 (2007)
Article DOI: 10.1021/jm070131b
BindingDB Entry DOI: 10.7270/Q2Z037VJ |
More data for this
Ligand-Target Pair | |
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