Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50018838 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 1B
(Homo sapiens (Human)) | BDBM50199567
(6-methoxy-8-(4-methyl-[1,4]diazepan-1-yl)-4-oxo-1,...)Show SMILES COc1cc(N2CCCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30-8-3-9-32(11-10-30)24-17-21(35-2)16-22-25(33)18-23(29-26(22)24)27(34)28-19-4-6-20(7-5-19)31-12-14-36-15-13-31/h4-7,16-18H,3,8-15H2,1-2H3,(H,28,34)(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199566
(6-methoxy-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-di...)Show SMILES COc1cc(N2CCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H31N5O4/c1-29-7-9-31(10-8-29)23-16-20(34-2)15-21-24(32)17-22(28-25(21)23)26(33)27-18-3-5-19(6-4-18)30-11-13-35-14-12-30/h3-6,15-17H,7-14H2,1-2H3,(H,27,33)(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199558
(6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dih...)Show SMILES CN1CCN(CC1)c1cc(F)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H28FN5O3/c1-29-6-8-31(9-7-29)22-15-17(26)14-20-23(32)16-21(28-24(20)22)25(33)27-18-2-4-19(5-3-18)30-10-12-34-13-11-30/h2-5,14-16H,6-13H2,1H3,(H,27,33)(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199565
(6-fluoro-4-methoxy-8-(4-methyl-piperazin-1-yl)-qui...)Show SMILES COc1cc(nc2c(cc(F)cc12)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H30FN5O3/c1-30-7-9-32(10-8-30)23-16-18(27)15-21-24(34-2)17-22(29-25(21)23)26(33)28-19-3-5-20(6-4-19)31-11-13-35-14-12-31/h3-6,15-17H,7-14H2,1-2H3,(H,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199559
(8-((3R)-(+)-3-dimethylamino-pyrrolidin-1-yl)-6-met...)Show SMILES COc1cc(N2CC[C@H](C2)N(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30(2)20-8-9-32(17-20)24-15-21(35-3)14-22-25(33)16-23(29-26(22)24)27(34)28-18-4-6-19(7-5-18)31-10-12-36-13-11-31/h4-7,14-16,20H,8-13,17H2,1-3H3,(H,28,34)(H,29,33)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199564
(4-dimethylamino-6-methoxy-8-(4-methyl-piperazin-1-...)Show SMILES COc1cc(N2CCN(C)CC2)c2nc(cc(N(C)C)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C28H36N6O3/c1-31(2)25-19-24(28(35)29-20-5-7-21(8-6-20)33-13-15-37-16-14-33)30-27-23(25)17-22(36-4)18-26(27)34-11-9-32(3)10-12-34/h5-8,17-19H,9-16H2,1-4H3,(H,29,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199562
(8-[ethyl-(1-ethyl-pyrrolidin-3-yl)-amino]-6-methox...)Show SMILES CCN(C1CCN(CC)C1)c1cc(OC)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C29H37N5O4/c1-4-32-11-10-22(19-32)34(5-2)26-17-23(37-3)16-24-27(35)18-25(31-28(24)26)29(36)30-20-6-8-21(9-7-20)33-12-14-38-15-13-33/h6-9,16-18,22H,4-5,10-15,19H2,1-3H3,(H,30,36)(H,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199561
(8-[(3-dimethylamino-propyl)-methyl-amino]-6-methox...)Show SMILES COc1cc(N(C)CCCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H35N5O4/c1-30(2)10-5-11-31(3)24-17-21(35-4)16-22-25(33)18-23(29-26(22)24)27(34)28-19-6-8-20(9-7-19)32-12-14-36-15-13-32/h6-9,16-18H,5,10-15H2,1-4H3,(H,28,34)(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 292 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199563
(8-[(2-dimethylamino-ethyl)-methyl-amino]-6-methoxy...)Show SMILES COc1cc(N(C)CCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H33N5O4/c1-29(2)9-10-30(3)23-16-20(34-4)15-21-24(32)17-22(28-25(21)23)26(33)27-18-5-7-19(8-6-18)31-11-13-35-14-12-31/h5-8,15-17H,9-14H2,1-4H3,(H,27,33)(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 392 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199560
(6-methoxy-8-[methyl-(1-methyl-pyrrolidin-3-yl)-ami...)Show SMILES COc1cc(N(C)C2CCN(C)C2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30-9-8-20(17-30)31(2)24-15-21(35-3)14-22-25(33)16-23(29-26(22)24)27(34)28-18-4-6-19(7-5-18)32-10-12-36-13-11-32/h4-7,14-16,20H,8-13,17H2,1-3H3,(H,28,34)(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199557
(8-((3S)-3-dimethylamino-pyrrolidin-1-yl)-6-methoxy...)Show SMILES COc1cc(N2CC[C@@H](C2)N(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30(2)20-8-9-32(17-20)24-15-21(35-3)14-22-25(33)16-23(29-26(22)24)27(34)28-18-4-6-19(7-5-18)31-10-12-36-13-11-31/h4-7,14-16,20H,8-13,17H2,1-3H3,(H,28,34)(H,29,33)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199568
(6-methoxy-4-methylamino-8-(4-methyl-piperazin-1-yl...)Show SMILES CNc1cc(nc2c(cc(OC)cc12)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H34N6O3/c1-28-23-18-24(27(34)29-19-4-6-20(7-5-19)32-12-14-36-15-13-32)30-26-22(23)16-21(35-3)17-25(26)33-10-8-31(2)9-11-33/h4-7,16-18H,8-15H2,1-3H3,(H,28,30)(H,29,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
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