new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 872 hits with Last Name = 'johansson' and Initial = 'a'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.0290n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]-5-HT


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136352
PNG
(US8859534, 38)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C27H32N4O3/c1-19(32)31-12-10-21-17-20(7-8-23(21)31)9-11-29-13-15-30(16-14-29)24-6-4-5-22-18-25(34-26(22)24)27(33)28(2)3/h4-8,17-18H,9-16H2,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0640n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136326
PNG
(US8859534, 12)
Show SMILES CNC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C21H24N4O2/c1-22-21(26)19-15-16-5-4-7-18(20(16)27-19)25-13-11-24(12-14-25)10-8-17-6-2-3-9-23-17/h2-7,9,15H,8,10-14H2,1H3,(H,22,26)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.110n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136354
PNG
(US8859534, 40)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(C)cn4)CC3)c2o1
Show InChI InChI=1S/C23H28N4O2/c1-17-7-8-19(24-16-17)9-10-26-11-13-27(14-12-26)20-6-4-5-18-15-21(29-22(18)20)23(28)25(2)3/h4-8,15-16H,9-14H2,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.140n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136317
PNG
(US8859534, 3)
Show SMILES O=C(NC1CCN(CC1)c1ccccc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C31H35N5O2/c37-31(33-26-13-17-35(18-14-26)27-9-2-1-3-10-27)29-23-24-7-6-11-28(30(24)38-29)36-21-19-34(20-22-36)16-12-25-8-4-5-15-32-25/h1-11,15,23,26H,12-14,16-22H2,(H,33,37)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.140n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136325
PNG
(US8859534, 11)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C22H26N4O2/c1-24(2)22(27)20-16-17-6-5-8-19(21(17)28-20)26-14-12-25(13-15-26)11-9-18-7-3-4-10-23-18/h3-8,10,16H,9,11-15H2,1-2H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.160n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136362
PNG
(US8859534, 48)
Show SMILES COc1cccnc1CCN1CCN(CC1)c1cccc2cc(oc12)C(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3/c1-25(2)23(28)21-16-17-6-4-7-19(22(17)30-21)27-14-12-26(13-15-27)11-9-18-20(29-3)8-5-10-24-18/h4-8,10,16H,9,11-15H2,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.160n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PubMed
0.160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136363
PNG
(US8859534, 49)
Show SMILES CC(=O)N1CCc2cc(CCN3CCN(CC3)c3cccc4cc(oc34)C(=O)N3CCC3)ccc12
Show InChI InChI=1S/C28H32N4O3/c1-20(33)32-13-9-22-18-21(6-7-24(22)32)8-12-29-14-16-30(17-15-29)25-5-2-4-23-19-26(35-27(23)25)28(34)31-10-3-11-31/h2,4-7,18-19H,3,8-17H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.160n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136318
PNG
(US8859534, 4)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Show InChI InChI=1S/C28H30N4O4S/c1-37(34,35)24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)36-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136361
PNG
(US8859534, 47)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1
Show InChI InChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-4-3-5-19(21(16)29-20)27-12-10-26(11-13-27)9-8-18-7-6-17(23)15-24-18/h3-7,14-15H,8-13H2,1-2H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.220n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50015662
PNG
(3-Amino-N-{1-[5-[2-[2-(1-carboxy-2-phenyl-ethylcar...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136351
PNG
(US8859534, 37)
Show SMILES Oc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C27H28N4O3/c32-23-8-3-5-20(17-23)19-29-27(33)25-18-21-6-4-9-24(26(21)34-25)31-15-13-30(14-16-31)12-10-22-7-1-2-11-28-22/h1-9,11,17-18,32H,10,12-16,19H2,(H,29,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.230n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136365
PNG
(US8859534, 51)
Show SMILES CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C27H31FN4O3/c1-18(33)32-9-7-20-14-19(4-5-23(20)32)6-8-30-10-12-31(13-11-30)24-17-22(28)15-21-16-25(35-26(21)24)27(34)29(2)3/h4-5,14-17H,6-13H2,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.230n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054342
PNG
(8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.246n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054342
PNG
(8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.251n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136322
PNG
(US8859534, 8)
Show SMILES Clc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C30H33ClN6O2/c31-25-7-4-13-33-29(25)37-15-10-24(11-16-37)34-30(38)27-21-22-5-3-8-26(28(22)39-27)36-19-17-35(18-20-36)14-9-23-6-1-2-12-32-23/h1-8,12-13,21,24H,9-11,14-20H2,(H,34,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.280n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136322
PNG
(US8859534, 8)
Show SMILES Clc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C30H33ClN6O2/c31-25-7-4-13-33-29(25)37-15-10-24(11-16-37)34-30(38)27-21-22-5-3-8-26(28(22)39-27)36-19-17-35(18-20-36)14-9-23-6-1-2-12-32-23/h1-8,12-13,21,24H,9-11,14-20H2,(H,34,38)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.290n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136353
PNG
(US8859534, 39)
Show SMILES COc1ccnc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N(C)C)c1
Show InChI InChI=1S/C23H28N4O3/c1-25(2)23(28)21-15-17-5-4-6-20(22(17)30-21)27-13-11-26(12-14-27)10-8-18-16-19(29-3)7-9-24-18/h4-7,9,15-16H,8,10-14H2,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.320n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136357
PNG
(US8859534, 43)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(cn4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C24H28N4O3/c1-17(29)19-7-8-20(25-16-19)9-10-27-11-13-28(14-12-27)21-6-4-5-18-15-22(31-23(18)21)24(30)26(2)3/h4-8,15-16H,9-14H2,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.330n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136359
PNG
(US8859534, 45)
Show SMILES COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N2CCC2)n1
Show InChI InChI=1S/C24H28N4O3/c1-30-22-8-3-6-19(25-22)9-12-26-13-15-27(16-14-26)20-7-2-5-18-17-21(31-23(18)20)24(29)28-10-4-11-28/h2-3,5-8,17H,4,9-16H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.340n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136367
PNG
(US8859534, 53)
Show SMILES CN(C)C(=O)c1cc2c(Br)ccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C22H25BrN4O2/c1-25(2)22(28)20-15-17-18(23)6-7-19(21(17)29-20)27-13-11-26(12-14-27)10-8-16-5-3-4-9-24-16/h3-7,9,15H,8,10-14H2,1-2H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.350n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136324
PNG
(US8859534, 10)
Show SMILES O=C(NCc1ccc2OCOc2c1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H28N4O4/c33-28(30-18-20-7-8-24-25(16-20)35-19-34-24)26-17-21-4-3-6-23(27(21)36-26)32-14-12-31(13-15-32)11-9-22-5-1-2-10-29-22/h1-8,10,16-17H,9,11-15,18-19H2,(H,30,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.380n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136338
PNG
(US8859534, 24)
Show SMILES COc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C31H36N6O3/c1-39-27-9-5-14-33-30(27)37-16-11-25(12-17-37)34-31(38)28-22-23-6-4-8-26(29(23)40-28)36-20-18-35(19-21-36)15-10-24-7-2-3-13-32-24/h2-9,13-14,22,25H,10-12,15-21H2,1H3,(H,34,38)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.420n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136364
PNG
(US8859534, 50)
Show SMILES CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-13-17(23)15-19(21(16)29-20)27-11-9-26(10-12-27)8-6-18-5-3-4-7-24-18/h3-5,7,13-15H,6,8-12H2,1-2H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.430n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136323
PNG
(US8859534, 9)
Show SMILES O=C(NCc1ccc(cc1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H27N5O2/c29-19-21-7-9-22(10-8-21)20-31-28(34)26-18-23-4-3-6-25(27(23)35-26)33-16-14-32(15-17-33)13-11-24-5-1-2-12-30-24/h1-10,12,18H,11,13-17,20H2,(H,31,34)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.440n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PubMed
0.440n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036286
PNG
((R)-(-)-10-methyl-11-hydroxyaporphine | (R)-6,10-d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19(15)2)4-3-5-14(16)17(13)18(11)20/h3-7,15,20H,8-10H2,1-2H3/t15-/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 38: 647-58 (1995)


BindingDB Entry DOI: 10.7270/Q2HX1BQH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036286
PNG
((R)-(-)-10-methyl-11-hydroxyaporphine | (R)-6,10-d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19(15)2)4-3-5-14(16)17(13)18(11)20/h3-7,15,20H,8-10H2,1-2H3/t15-/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136350
PNG
(US8859534, 36)
Show SMILES O=C(N1CC(C1)Oc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H29N5O3/c34-28(33-19-24(20-33)35-23-7-4-10-29-18-23)26-17-21-5-3-8-25(27(21)36-26)32-15-13-31(14-16-32)12-9-22-6-1-2-11-30-22/h1-8,10-11,17-18,24H,9,12-16,19-20H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.460n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136317
PNG
(US8859534, 3)
Show SMILES O=C(NC1CCN(CC1)c1ccccc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C31H35N5O2/c37-31(33-26-13-17-35(18-14-26)27-9-2-1-3-10-27)29-23-24-7-6-11-28(30(24)38-29)36-21-19-34(20-22-36)16-12-25-8-4-5-15-32-25/h1-11,15,23,26H,12-14,16-22H2,(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.520n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136327
PNG
(US8859534, 13)
Show SMILES O=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C23H26N4O2/c28-23(25-19-7-8-19)21-16-17-4-3-6-20(22(17)29-21)27-14-12-26(13-15-27)11-9-18-5-1-2-10-24-18/h1-6,10,16,19H,7-9,11-15H2,(H,25,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136338
PNG
(US8859534, 24)
Show SMILES COc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C31H36N6O3/c1-39-27-9-5-14-33-30(27)37-16-11-25(12-17-37)34-31(38)28-22-23-6-4-8-26(29(23)40-28)36-20-18-35(19-21-36)15-10-24-7-2-3-13-32-24/h2-9,13-14,22,25H,10-12,15-21H2,1H3,(H,34,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.560n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136321
PNG
(US8859534, 7)
Show SMILES CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccccn1
Show InChI InChI=1/C27H29N5O2/c1-20(23-9-3-5-13-29-23)30-27(33)25-19-21-7-6-10-24(26(21)34-25)32-17-15-31(16-18-32)14-11-22-8-2-4-12-28-22/h2-10,12-13,19-20H,11,14-18H2,1H3,(H,30,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.590n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136356
PNG
(US8859534, 42)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cccc(n4)C(F)(F)F)CC3)c2o1
Show InChI InChI=1S/C23H25F3N4O2/c1-28(2)22(31)19-15-16-5-3-7-18(21(16)32-19)30-13-11-29(12-14-30)10-9-17-6-4-8-20(27-17)23(24,25)26/h3-8,15H,9-14H2,1-2H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.640n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
0.660n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-raclopride binding to Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50030004
PNG
(1-((S)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136332
PNG
(US8859534, 18)
Show SMILES COc1cccc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C29H32N4O3/c1-35-25-9-4-6-22(20-25)11-14-31-29(34)27-21-23-7-5-10-26(28(23)36-27)33-18-16-32(17-19-33)15-12-24-8-2-3-13-30-24/h2-10,13,20-21H,11-12,14-19H2,1H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.700n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50366760
PNG
(CHEMBL2369589)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.75n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136330
PNG
(US8859534, 16)
Show SMILES O=C(N1CCCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C24H28N4O2/c29-24(28-11-3-4-12-28)22-18-19-6-5-8-21(23(19)30-22)27-16-14-26(15-17-27)13-9-20-7-1-2-10-25-20/h1-2,5-8,10,18H,3-4,9,11-17H2
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.780n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136342
PNG
(US8859534, 28)
Show SMILES COc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Show InChI InChI=1S/C28H30N4O3/c1-34-24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)35-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.850n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50150685
PNG
(((S)-5-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1
Show InChI InChI=1S/C22H29N/c1-3-15-23(16-4-2)20-13-14-22-19(17-20)11-8-12-21(22)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.870n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3927-30 (2004)


Article DOI: 10.1021/jm0498102
BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136326
PNG
(US8859534, 12)
Show SMILES CNC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C21H24N4O2/c1-22-21(26)19-15-16-5-4-7-18(20(16)27-19)25-13-11-24(12-14-25)10-8-17-6-2-3-9-23-17/h2-7,9,15H,8,10-14H2,1H3,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.880n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136324
PNG
(US8859534, 10)
Show SMILES O=C(NCc1ccc2OCOc2c1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H28N4O4/c33-28(30-18-20-7-8-24-25(16-20)35-19-34-24)26-17-21-4-3-6-23(27(21)36-26)32-14-12-31(13-15-32)11-9-22-5-1-2-10-29-22/h1-8,10,16-17H,9,11-15,18-19H2,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.890n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50053667
PNG
(CHEMBL552643 | Trifluoro-methanesulfonic acid (S)-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C27H36F4N2O5S/c1-2-13-32(14-5-6-15-33-24(34)17-26(18-25(33)35)11-3-4-12-26)19-7-8-20-21(16-19)23(10-9-22(20)28)38-39(36,37)27(29,30)31/h9-10,19H,2-8,11-18H2,1H3/t19-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136340
PNG
(US8859534, 26)
Show SMILES COc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C28H30N4O3/c1-34-24-9-4-6-21(18-24)20-30-28(33)26-19-22-7-5-10-25(27(22)35-26)32-16-14-31(15-17-32)13-11-23-8-2-3-12-29-23/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,30,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.910n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136336
PNG
(US8859534, 22)
Show SMILES O=C(NCc1cccc(c1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H27N5O2/c29-19-21-5-3-6-22(17-21)20-31-28(34)26-18-23-7-4-9-25(27(23)35-26)33-15-13-32(14-16-33)12-10-24-8-1-2-11-30-24/h1-9,11,17-18H,10,12-16,20H2,(H,31,34)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.910n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136333
PNG
(US8859534, 19)
Show SMILES CN(Cc1cccc(c1)S(C)(=O)=O)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C29H32N4O4S/c1-31(21-22-7-5-10-25(19-22)38(2,35)36)29(34)27-20-23-8-6-11-26(28(23)37-27)33-17-15-32(16-18-33)14-12-24-9-3-4-13-30-24/h3-11,13,19-20H,12,14-18,21H2,1-2H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.990n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136342
PNG
(US8859534, 28)
Show SMILES COc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Show InChI InChI=1S/C28H30N4O3/c1-34-24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)35-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 872 total )  |  Next  |  Last  >>
Jump to: