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Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 3427   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50033383
PNG
((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...)
Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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n/an/an/a 1.5n/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor beta using rabbit saphenous vein assay.


J Med Chem 38: 3566-80 (1995)


Article DOI: 10.1021/jm00018a016
BindingDB Entry DOI: 10.7270/Q2GF0SJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50408829
PNG
(CHEMBL161368)
Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](CO)C=C3c3cccc1c23
Show InChI InChI=1S/C19H24N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-7,10,12-13,18,22H,8-9,11H2,1-3H3/t13-,18-/m1/s1
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n/an/an/a 209n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Affinity of compound towards 5-hydroxytryptamine 1B receptor in isolated guinea-pig iliac artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50408833
PNG
(CHEMBL349405)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(CO)CN3C)c3cccc1c23
Show InChI InChI=1S/C19H24N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-7,10,12,16,18,22H,8-9,11H2,1-3H3/t16-,18-/m1/s1
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n/an/an/a 851n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Affinity of compound towards 5-hydroxytryptamine 1B receptor in isolated guinea-pig iliac artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50408847
PNG
(CHEMBL161046)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](CO)CN3C)c3cccc1c23
Show InChI InChI=1S/C19H26N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-6,10,12-13,16,18,22H,7-9,11H2,1-3H3/t13-,16-,18-/m1/s1
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n/an/an/a 1.86E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Affinity of compound towards 5-hydroxytryptamine 1B receptor in isolated guinea-pig iliac artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM86175
PNG
(Methylhistaprodifen | N-Methyl-2-(3,3-diphenylprop...)
Show SMILES CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
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n/an/an/a 8.13E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 1B receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM22864
PNG
(2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1...)
Show SMILES NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)
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n/an/an/a 1.41E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 1B receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a>3.16E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 1B receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair