Found 1103 hits with Last Name = 'smith' and Initial = 'pw' 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 1A
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413698
(CHEMBL459282)Show SMILES CN1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C30H39N3O/c1-23-9-10-28-29(31-23)7-4-8-30(28)34-20-19-33-17-11-24(12-18-33)21-25-5-3-6-27(22-25)26-13-15-32(2)16-14-26/h3-10,22,24,26H,11-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412441
(CHEMBL490417 | SB-744185)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412441
(CHEMBL490417 | SB-744185)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412126
(CHEMBL525362)Show SMILES CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C27H34N4O2/c1-3-28-27(32)30-23-7-4-6-22(19-23)18-21-12-14-31(15-13-21)16-17-33-26-9-5-8-25-24(26)11-10-20(2)29-25/h4-11,19,21H,3,12-18H2,1-2H3,(H2,28,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412114
(CHEMBL183460 | SB-649915)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412121
(CHEMBL506942)Show SMILES CN(C(C)=O)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C26H32N4O2/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-12-14-30(15-13-29)19-22-6-4-7-23(18-22)28(3)21(2)31/h4-11,18H,12-17,19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412124
(CHEMBL495213)Show SMILES CC(C)S(=O)(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C27H35N3O3S/c1-20(2)34(31,32)29-24-7-4-6-23(19-24)18-22-12-14-30(15-13-22)16-17-33-27-9-5-8-26-25(27)11-10-21(3)28-26/h4-11,19-20,22,29H,12-18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50477395
(CHEMBL238520)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1 Show InChI InChI=1S/C26H27F2N3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]WAY-100635 from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50477399
(CHEMBL241463)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H28FN3O3/c1-17-5-6-20-22(28-17)3-2-4-24(20)32-12-11-30-9-7-18(8-10-30)13-19-14-21(27)26-23(15-19)29-25(31)16-33-26/h2-6,14-15,18H,7-13,16H2,1H3,(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human cloned 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413691
(CHEMBL458199)Show SMILES CN1CCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C29H38N4O/c1-23-9-10-27-28(30-23)7-4-8-29(27)34-20-19-32-13-11-24(12-14-32)21-25-5-3-6-26(22-25)33-17-15-31(2)16-18-33/h3-10,22,24H,11-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412132
(CHEMBL497963)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 Show InChI InChI=1S/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50412441
(CHEMBL490417 | SB-744185)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1B receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412132
(CHEMBL497963)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 Show InChI InChI=1S/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412118
(CHEMBL494806)Show SMILES CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C25H30N4O2/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-11-13-29(14-12-28)18-21-5-3-6-22(17-21)27-20(2)30/h3-10,17H,11-16,18H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412134
(CHEMBL525712)Show SMILES CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C26H31N3O2/c1-19-9-10-24-25(27-19)7-4-8-26(24)31-16-15-29-13-11-21(12-14-29)17-22-5-3-6-23(18-22)28-20(2)30/h3-10,18,21H,11-17H2,1-2H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50477400
(CHEMBL239168)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cccc2n1 Show InChI InChI=1S/C26H28FN3O3/c1-17-5-6-20-22(28-17)3-2-4-24(20)32-12-11-30-9-7-18(8-10-30)13-19-14-23-25(15-21(19)27)33-16-26(31)29-23/h2-6,14-15,18H,7-13,16H2,1H3,(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]WAY-100635 from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50475428
(CHEMBL196848)Show SMILES COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccccc3C)c2cc1N1C[C@H](C)N(C)[C@H](C)C1 Show InChI InChI=1S/C30H35N3O2/c1-20-8-6-7-9-26(20)23-10-12-24(13-11-23)30(34)33-15-14-25-16-29(35-5)28(17-27(25)33)32-18-21(2)31(4)22(3)19-32/h6-13,16-17,21-22H,14-15,18-19H2,1-5H3/t21-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 1B receptor |
Bioorg Med Chem Lett 15: 4708-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.085
BindingDB Entry DOI: 10.7270/Q2CC13F8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412130
(CHEMBL498354)Show SMILES CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C27H33N3O2/c1-3-27(31)29-23-7-4-6-22(19-23)18-21-12-14-30(15-13-21)16-17-32-26-9-5-8-25-24(26)11-10-20(2)28-25/h4-11,19,21H,3,12-18H2,1-2H3,(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413688
(CHEMBL517170)Show SMILES C[C@@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r| Show InChI InChI=1S/C29H38N4O/c1-22-9-10-27-28(31-22)7-4-8-29(27)34-18-17-32-14-11-24(12-15-32)19-25-5-3-6-26(20-25)33-16-13-30-23(2)21-33/h3-10,20,23-24,30H,11-19,21H2,1-2H3/t23-/m1/s1 | PDB
Reactome pathway
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413696
(CHEMBL514429)Show SMILES CN1CCCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C30H40N4O/c1-24-10-11-28-29(31-24)8-4-9-30(28)35-21-20-33-16-12-25(13-17-33)22-26-6-3-7-27(23-26)34-15-5-14-32(2)18-19-34/h3-4,6-11,23,25H,5,12-22H2,1-2H3 | PDB
Reactome pathway
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UniChem
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PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412434
(CHEMBL483365)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C26H30N4O2/c1-19-8-10-21-22(27-19)6-4-7-24(21)30-15-13-29(14-16-30)12-3-2-5-20-9-11-25-23(17-20)28-26(31)18-32-25/h4,6-11,17H,2-3,5,12-16,18H2,1H3,(H,28,31) | PDB
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UniChem
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413687
(CHEMBL461670)Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r| Show InChI InChI=1S/C30H40N4O/c1-22-10-11-28-29(32-22)8-5-9-30(28)35-17-16-33-14-12-25(13-15-33)18-26-6-4-7-27(19-26)34-20-23(2)31-24(3)21-34/h4-11,19,23-25,31H,12-18,20-21H2,1-3H3/t23-,24+ | PDB
Reactome pathway
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PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50477399
(CHEMBL241463)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H28FN3O3/c1-17-5-6-20-22(28-17)3-2-4-24(20)32-12-11-30-9-7-18(8-10-30)13-19-14-21(27)26-23(15-19)29-25(31)16-33-26/h2-6,14-15,18H,7-13,16H2,1H3,(H,29,31) | PDB
Reactome pathway
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| Article
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human cloned 5HT1B receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50477402
(CHEMBL241503)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1 Show InChI InChI=1S/C26H28FN3O3/c1-17-5-7-20-21(28-17)3-2-4-22(20)32-14-13-30-11-9-18(10-12-30)15-19-6-8-23-26(25(19)27)29-24(31)16-33-23/h2-8,18H,9-16H2,1H3,(H,29,31) | PDB
Reactome pathway
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human cloned 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50477404
(CHEMBL442087)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(F)cc2n1 Show InChI InChI=1S/C26H28FN3O3/c1-17-2-4-21-22(28-17)14-20(27)15-25(21)32-11-10-30-8-6-18(7-9-30)12-19-3-5-24-23(13-19)29-26(31)16-33-24/h2-5,13-15,18H,6-12,16H2,1H3,(H,29,31) | PDB
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]WAY-100635 from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412120
(CHEMBL425190 | SB-714786)Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1 Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3 | PDB
Reactome pathway
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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CHEMBL
MCE
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UniChem
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM21393
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3 | PDB
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412119
(CHEMBL494631)Show InChI InChI=1S/C23H27N3O/c1-19-10-11-21-22(24-19)8-5-9-23(21)27-17-16-25-12-14-26(15-13-25)18-20-6-3-2-4-7-20/h2-11H,12-18H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12543
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)Show SMILES CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C29H40ClN5O5S/c1-20(2)33(16-15-32-12-5-4-6-13-32)28(37)21(3)34-14-11-26(29(34)38)35(19-27(31)36)41(39,40)25-10-8-22-17-24(30)9-7-23(22)18-25/h7-10,17-18,20-21,26H,4-6,11-16,19H2,1-3H3,(H2,31,36)/t21-,26-/m0/s1 | PDB
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Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413702
(CHEMBL462916)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccncc4)CC3)cccc2n1 Show InChI InChI=1S/C29H31N3O/c1-22-8-9-27-28(31-22)6-3-7-29(27)33-19-18-32-16-12-23(13-17-32)20-24-4-2-5-26(21-24)25-10-14-30-15-11-25/h2-11,14-15,21,23H,12-13,16-20H2,1H3 | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12528
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PDB
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Similars
| MMDB
PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50477397
(CHEMBL391661)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H27ClFN3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32) | PDB
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| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at rat 5HT1A receptor |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50477395
(CHEMBL238520)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1 Show InChI InChI=1S/C26H27F2N3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32) | PDB
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| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at rat 5HT1A receptor |
Bioorg Med Chem Lett 17: 1033-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.031
BindingDB Entry DOI: 10.7270/Q2348P5G |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12542
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C25H34ClN5O7S2/c1-16(2)29(12-10-28-39(4,35)36)24(33)17(3)30-11-9-22(25(30)34)31(15-23(27)32)40(37,38)21-8-6-18-13-20(26)7-5-19(18)14-21/h5-8,13-14,16-17,22,28H,9-12,15H2,1-4H3,(H2,27,32)/t17-,22-/m0/s1 | PDB
MMDB
Reactome pathway
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12541
((2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-{2-[(6-...)Show SMILES CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C25H33ClN6O6S/c1-15(2)30(11-9-29-25(28)36)23(34)16(3)31-10-8-21(24(31)35)32(14-22(27)33)39(37,38)20-7-5-17-12-19(26)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14H2,1-3H3,(H2,27,33)(H3,28,29,36)/t16-,21-/m0/s1 | PDB
MMDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470598
(CHEMBL126050)Show SMILES Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C25H28FN3O2/c1-18-2-4-19(5-3-18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-20-15-27-23-7-6-21(26)14-22(20)23/h2-7,14-15,27H,8-13,16-17H2,1H3 | PDB
Reactome pathway
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity against tachykinin receptor 2 from rat colon. |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006
BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12545
((2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-{2-[(6-...)Show SMILES CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r,c:7,9,11| Show InChI InChI=1S/C30H36ClN5O5S/c1-21(2)34(17-16-33-13-6-4-5-7-14-33)29(38)22(3)35-15-12-27(30(35)39)36(20-28(32)37)42(40,41)26-11-9-23-18-25(31)10-8-24(23)19-26/h4-11,13-14,18-19,21-22,27H,12,15-17,20H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12540
((2S)-N-(2-aminoethyl)-2-[(3S)-3-{2-[(6-chloronapht...)Show SMILES CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C24H32ClN5O5S/c1-15(2)28(11-9-26)23(32)16(3)29-10-8-21(24(29)33)30(14-22(27)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14,26H2,1-3H3,(H2,27,31)/t16-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12544
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)Show SMILES CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C28H38ClN5O6S/c1-19(2)32(11-10-31-12-14-40-15-13-31)27(36)20(3)33-9-8-25(28(33)37)34(18-26(30)35)41(38,39)24-7-5-21-16-23(29)6-4-22(21)17-24/h4-7,16-17,19-20,25H,8-15,18H2,1-3H3,(H2,30,35)/t20-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412939
(CHEMBL479463 | GSK-256471)Show SMILES CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H28FN3O3S/c1-33(37(2,35)36)18-24-26(29(34)32-27(20-15-16-20)21-11-8-12-22(30)17-21)23-13-6-7-14-25(23)31-28(24)19-9-4-3-5-10-19/h3-14,17,20,27H,15-16,18H2,1-2H3,(H,32,34)/t27-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50410435
(CHEMBL191971 | SB-272183)Show SMILES CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12 Show InChI InChI=1S/C29H28ClN5O/c1-33-14-16-34(17-15-33)28-19-27-21(18-25(28)30)10-13-35(27)29(36)32-26-7-6-22(20-8-11-31-12-9-20)23-4-2-3-5-24(23)26/h2-9,11-12,18-19H,10,13-17H2,1H3,(H,32,36) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 15: 4708-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.085
BindingDB Entry DOI: 10.7270/Q2CC13F8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412127
(CHEMBL496098)Show SMILES CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C28H36N4O2/c1-21-10-11-25-26(29-21)8-5-9-27(25)34-17-16-32-14-12-22(13-15-32)18-23-6-4-7-24(19-23)30-28(33)20-31(2)3/h4-11,19,22H,12-18,20H2,1-3H3,(H,30,33) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor |
J Med Chem 51: 2887-90 (2008)
Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12539
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)Show SMILES CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C24H31ClN4O6S/c1-15(2)27(10-11-30)23(32)16(3)28-9-8-21(24(28)33)29(14-22(26)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21,30H,8-11,14H2,1-3H3,(H2,26,31)/t16-,21-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... |
Bioorg Med Chem Lett 16: 5953-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50413691
(CHEMBL458199)Show SMILES CN1CCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C29H38N4O/c1-23-9-10-27-28(30-23)7-4-8-29(27)34-20-19-32-13-11-24(12-14-32)21-25-5-3-6-26(22-25)33-17-15-31(2)16-18-33/h3-10,22,24H,11-21H2,1-2H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]WAY100635 from human 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412127
(CHEMBL496098)Show SMILES CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C28H36N4O2/c1-21-10-11-25-26(29-21)8-5-9-27(25)34-17-16-32-14-12-22(13-15-32)18-23-6-4-7-24(19-23)30-28(33)20-31(2)3/h4-11,19,22H,12-18,20H2,1-3H3,(H,30,33) | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413689
(CHEMBL518545)Show SMILES C[C@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r| Show InChI InChI=1S/C29H38N4O/c1-22-9-10-27-28(31-22)7-4-8-29(27)34-18-17-32-14-11-24(12-15-32)19-25-5-3-6-26(20-25)33-16-13-30-23(2)21-33/h3-10,20,23-24,30H,11-19,21H2,1-2H3/t23-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413690
(CHEMBL457982)Show SMILES C[C@@H]1CN([C@@H](C)CN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r| Show InChI InChI=1S/C30H40N4O/c1-22-10-11-28-29(32-22)8-5-9-30(28)35-17-16-33-14-12-25(13-15-33)18-26-6-4-7-27(19-26)34-21-23(2)31-20-24(34)3/h4-11,19,23-25,31H,12-18,20-21H2,1-3H3/t23-,24+/m1/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50413694
(CHEMBL459061)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCCC4)CC3)cccc2n1 Show InChI InChI=1S/C29H37N3O/c1-23-11-12-27-28(30-23)9-6-10-29(27)33-20-19-31-17-13-24(14-18-31)21-25-7-5-8-26(22-25)32-15-3-2-4-16-32/h5-12,22,24H,2-4,13-21H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 428-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0 |
More data for this
Ligand-Target Pair | |
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