Found 951 hits with Last Name = 'rakhit' and Initial = 's' 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 |
|---|
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090516
(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090517
(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090519
(CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...)Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386386
(CHEMBL2046871)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H28N4O3/c1-3-30-20-9-6-17(7-10-20)15-23-24-21-16-19(27(28)29)8-11-22(21)26(23)14-12-18-5-4-13-25(18)2/h6-11,16,18H,3-5,12-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090523
(2-(5-tert-Butyl-1-methyl-1H-indol-3-yl)-ethylamine...)Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(7-8-16)10-17(14)4/h5-6,9-10H,7-8,16H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088870
(CHEMBL171129 | Dimethyl-[2-(5-thiophen-3-yl-1H-ind...)Show InChI InChI=1S/C16H18N2S/c1-18(2)7-5-13-10-17-16-4-3-12(9-15(13)16)14-6-8-19-11-14/h3-4,6,8-11,17H,5,7H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088867
(CHEMBL170192 | Dimethyl-[2-(5-thiophen-2-yl-1H-ind...)Show InChI InChI=1S/C16H18N2S/c1-18(2)8-7-13-11-17-15-6-5-12(10-14(13)15)16-4-3-9-19-16/h3-6,9-11,17H,7-8H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090522
(5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...)Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088863
(2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine | CHE...)Show InChI InChI=1S/C14H14N2S/c15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14/h1-4,7-9,16H,5-6,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088864
(3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-...)Show SMILES COC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C20H24N2OS/c1-23-14-17-4-2-9-22(17)10-8-16-13-21-19-7-6-15(12-18(16)19)20-5-3-11-24-20/h3,5-7,11-13,17,21H,2,4,8-10,14H2,1H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50176062
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| DrugBank
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in CHO cells after 120 mins by scintillation counting |
J Med Chem 55: 3488-501 (2012)
Article DOI: 10.1021/jm300138g
BindingDB Entry DOI: 10.7270/Q2KW5H2V |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090521
(5-tert-Butyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole...)Show InChI InChI=1S/C18H26N2/c1-18(2,3)15-6-7-17-16(12-15)14(13-19-17)8-11-20-9-4-5-10-20/h6-7,12-13,19H,4-5,8-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088869
(3-[2-(2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-5-thiop...)Show InChI InChI=1S/C20H24N2S/c1-14-5-6-15(2)22(14)10-9-17-13-21-19-8-7-16(12-18(17)19)20-4-3-11-23-20/h3-4,7-8,11-15,21H,5-6,9-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088866
(CHEMBL174355 | Dimethyl-{2-[5-(5-methyl-thiophen-2...)Show InChI InChI=1S/C17H20N2S/c1-12-4-7-17(20-12)13-5-6-16-15(10-13)14(11-18-16)8-9-19(2)3/h4-7,10-11,18H,8-9H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090515
(5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088868
(3-[2-(2,5-Dihydro-pyrrol-1-yl)-ethyl]-5-thiophen-2...)Show SMILES C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CC=CC1 |c:21| Show InChI InChI=1S/C18H18N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h1-6,11-13,19H,7-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090518
(5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole ...)Show InChI InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386382
(CHEMBL2046872)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5OS/c1-4-31(5-2)15-16-32-24-14-11-21(29-27(28)25-8-7-17-34-25)19-23(24)30-26(32)18-20-9-12-22(13-10-20)33-6-3/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H2,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| DrugBank
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386379
(CHEMBL2048416)Show SMILES CCOc1ccc(Cc2nc3cc(NC(N)=N[N+]([O-])=O)ccc3n2CCN(CC)CC)cc1 |w:16.16| Show InChI InChI=1S/C23H31N7O3/c1-4-28(5-2)13-14-29-21-12-9-18(25-23(24)27-30(31)32)16-20(21)26-22(29)15-17-7-10-19(11-8-17)33-6-3/h7-12,16H,4-6,13-15H2,1-3H3,(H3,24,25,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088860
(CHEMBL422737 | {2-[5-(5-Chloro-thiophen-2-yl)-1H-i...)Show InChI InChI=1S/C16H17ClN2S/c1-19(2)8-7-12-10-18-14-4-3-11(9-13(12)14)15-5-6-16(17)20-15/h3-6,9-10,18H,7-8H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386380
(CHEMBL2048417)Show SMILES CCOc1ccc(Cc2nc3ccc(cc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5OS/c1-4-31(5-2)15-16-32-24-19-21(29-27(28)25-8-7-17-34-25)11-14-23(24)30-26(32)18-20-9-12-22(13-10-20)33-6-3/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H2,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088865
(CHEMBL174141 | {(S)-1-[2-(5-Thiophen-2-yl-1H-indol...)Show InChI InChI=1S/C19H22N2OS/c22-13-16-3-1-8-21(16)9-7-15-12-20-18-6-5-14(11-17(15)18)19-4-2-10-23-19/h2,4-6,10-12,16,20,22H,1,3,7-9,13H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088864
(3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-...)Show SMILES COC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C20H24N2OS/c1-23-14-17-4-2-9-22(17)10-8-16-13-21-19-7-6-15(12-18(16)19)20-5-3-11-24-20/h3,5-7,11-13,17,21H,2,4,8-10,14H2,1H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50090517
(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
Reactome pathway
KEGG
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CHEMBL
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MCE
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UniChem
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| DrugBank
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386388
(CHEMBL2046877)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccsc2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5OS/c1-4-31(5-2)14-15-32-25-12-9-22(29-27(28)21-13-16-34-19-21)18-24(25)30-26(32)17-20-7-10-23(11-8-20)33-6-3/h7-13,16,18-19H,4-6,14-15,17H2,1-3H3,(H2,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50090519
(CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...)Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3 | PDB
Reactome pathway
KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50090516
(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50049099
(CHEMBL50492 | [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-di...)Show InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088870
(CHEMBL171129 | Dimethyl-[2-(5-thiophen-3-yl-1H-ind...)Show InChI InChI=1S/C16H18N2S/c1-18(2)7-5-13-10-17-16-4-3-12(9-15(13)16)14-6-8-19-11-14/h3-4,6,8-11,17H,5,7H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088861
(3-(2-Pyrrolidin-1-yl-ethyl)-5-thiophen-2-yl-1H-ind...)Show InChI InChI=1S/C18H20N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h3-6,11-13,19H,1-2,7-10H2 | PDB
Reactome pathway
KEGG
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088867
(CHEMBL170192 | Dimethyl-[2-(5-thiophen-2-yl-1H-ind...)Show InChI InChI=1S/C16H18N2S/c1-18(2)8-7-13-11-17-15-6-5-12(10-14(13)15)16-4-3-9-19-16/h3-6,9-11,17H,7-8H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386385
(CHEMBL2046876)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccco2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5O2/c1-4-31(5-2)15-16-32-24-14-11-21(29-27(28)25-8-7-17-34-25)19-23(24)30-26(32)18-20-9-12-22(13-10-20)33-6-3/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H2,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50088862
(5-(5-Chloro-thiophen-2-yl)-3-(2-pyrrolidin-1-yl-et...)Show InChI InChI=1S/C18H19ClN2S/c19-18-6-5-17(22-18)13-3-4-16-15(11-13)14(12-20-16)7-10-21-8-1-2-9-21/h3-6,11-12,20H,1-2,7-10H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088863
(2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine | CHE...)Show InChI InChI=1S/C14H14N2S/c15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14/h1-4,7-9,16H,5-6,15H2 | PDB
Reactome pathway
KEGG
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| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
Reactome pathway
KEGG
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CHEMBL
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| DrugBank
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386377
(CHEMBL2046878)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccoc2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5O2/c1-4-31(5-2)14-15-32-25-12-9-22(29-27(28)21-13-16-33-19-21)18-24(25)30-26(32)17-20-7-10-23(11-8-20)34-6-3/h7-13,16,18-19H,4-6,14-15,17H2,1-3H3,(H2,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50090520
(5-Ethyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole | CH...)Show InChI InChI=1S/C16H22N2/c1-2-13-5-6-16-15(11-13)14(12-17-16)7-10-18-8-3-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50090522
(5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...)Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386378
(CHEMBL2048415)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(C)N)cc1 |w:24.25| Show InChI InChI=1S/C24H33N5O/c1-5-28(6-2)14-15-29-23-13-10-20(26-18(4)25)17-22(23)27-24(29)16-19-8-11-21(12-9-19)30-7-3/h8-13,17H,5-7,14-16H2,1-4H3,(H2,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
Reactome pathway
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CHEMBL
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MCE
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PC cid
PC sid
UniChem
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| DrugBank
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088869
(3-[2-(2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-5-thiop...)Show InChI InChI=1S/C20H24N2S/c1-14-5-6-15(2)22(14)10-9-17-13-21-19-8-7-16(12-18(17)19)20-4-3-11-23-20/h3-4,7-8,11-15,21H,5-6,9-10H2,1-2H3 | PDB
Reactome pathway
KEGG
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DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088868
(3-[2-(2,5-Dihydro-pyrrol-1-yl)-ethyl]-5-thiophen-2...)Show SMILES C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CC=CC1 |c:21| Show InChI InChI=1S/C18H18N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h1-6,11-13,19H,7-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386383
(CHEMBL2046873)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)N=C(N)c2cccs2)cc1 |w:22.23| Show InChI InChI=1S/C25H29N5OS/c1-4-31-20-10-7-18(8-11-20)16-24-28-21-17-19(27-25(26)23-6-5-15-32-23)9-12-22(21)30(24)14-13-29(2)3/h5-12,15,17H,4,13-14,16H2,1-3H3,(H2,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088865
(CHEMBL174141 | {(S)-1-[2-(5-Thiophen-2-yl-1H-indol...)Show InChI InChI=1S/C19H22N2OS/c22-13-16-3-1-8-21(16)9-7-15-12-20-18-6-5-14(11-17(15)18)19-4-2-10-23-19/h2,4-6,10-12,16,20,22H,1,3,7-9,13H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50090515
(5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 1707-9 (2000)
BindingDB Entry DOI: 10.7270/Q2GF0SRT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50088866
(CHEMBL174355 | Dimethyl-{2-[5-(5-methyl-thiophen-2...)Show InChI InChI=1S/C17H20N2S/c1-12-4-7-17(20-12)13-5-6-16-15(10-13)14(11-18-16)8-9-19(2)3/h4-7,10-11,18H,8-9H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Allelix Corp.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 10: 903-5 (2000)
BindingDB Entry DOI: 10.7270/Q24F1PZJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50386381
(Nucynta | TAPENTADOL HYDROCHLORIDE | Tapentadol)Show InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
DrugBank
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting |
ACS Med Chem Lett 3: 227-231 (2012)
Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4 |
More data for this
Ligand-Target Pair | |
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