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

Found 174 hits with Last Name = 'lin' and Initial = 'ce'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041573
PNG
(17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetrade...)
Show SMILES CCCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C40H45N3O6/c1-2-3-12-42-13-10-37-29-21-6-8-25(44)33(29)48-35(37)31-23(17-39(37,46)27(42)15-21)24-18-40(47)28-16-22-7-9-26(45)34-30(22)38(40,36(49-34)32(24)41-31)11-14-43(28)19-20-4-5-20/h6-9,20,27-28,35-36,41,44-47H,2-5,10-19H2,1H3/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0400n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50229232
PNG
(CHEMBL610527)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC=C2c1ccccc1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.0500n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50229232
PNG
(CHEMBL610527)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC=C2c1ccccc1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82552
PNG
(CAS_111555-58-9 | NTB | naltrindolebenzofuran)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
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...)
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
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...)
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50451343
PNG
(CHEMBL477154)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2n(C)c2ccccc12)ccc3O |THB:10:9:17:5.6.4|
Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.180n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
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
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
PubMed
0.260n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured against Opioid receptor kappa 1 on electrically stimulated guinea pig ileal longitudinal muscle myenteric p...


J Med Chem 34: 1292-6 (1991)


BindingDB Entry DOI: 10.7270/Q2C53MF5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
PubMed
0.280n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


BindingDB Entry DOI: 10.7270/Q2XP75K7
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
PDB
PubMed
0.310n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041568
PNG
(17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)ami...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C=C8N(CCNC(=O)OCc9ccccc9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |t:31,TLB:54:26:46:29.44.43,24:25:46:29.44.43|
Show InChI InChI=1S/C46H46N4O8/c51-30-10-8-26-18-32-45(54)20-28-29-21-46(55)33-19-27-9-11-31(52)39-35(27)44(46,13-16-50(33)22-24-6-7-24)41(58-39)37(29)48-36(28)40-43(45,34(26)38(30)57-40)12-15-49(32)17-14-47-42(53)56-23-25-4-2-1-3-5-25/h1-5,8-11,18,24,33,40-41,48,51-52,54-55H,6-7,12-17,19-23H2,(H,47,53)/t33-,40+,41+,43+,44+,45-,46-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.360n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


BindingDB Entry DOI: 10.7270/Q2XP75K7
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009129
PNG
(binaltorphimine(BNI))
Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2C[C@@]3(O)C5Cc6ccc(O)c7O[C@@H](c12)[C@]3(CCN5CC1CC1)c67)ccc4O |TLB:46:7:18:10.16.15,5:6:18:10.16.15,THB:29:28:24:40.38.39,33:45:24:40.38.39|
Show InChI InChI=1S/C41H45N3O6/c1-42-32-24(16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,36(32)49-34)10-12-43(28)18-20-2-3-20)25-17-41(48)29-15-23-7-9-27(46)35-31(23)39(41,37(50-35)33(25)42)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,45-48H,2-5,10-19H2,1H3/t28?,29?,36-,37-,38-,39-,40+,41+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.410n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 was measured in the guinea pig brain membranes using [3H]EK in the presence of 1 uM unlabeled DAMGO ...


J Med Chem 34: 1292-6 (1991)


BindingDB Entry DOI: 10.7270/Q2C53MF5
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
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50229231
PNG
(CHEMBL610534)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c4CCCCc4n(C)c21)ccc3O |r,THB:10:9:17:4.5.6|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.540n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041572
PNG
(17-(cyclopropylmethyl)-17'-(2-guanidinoethyl-6,6',...)
Show SMILES NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O |THB:42:41:23:46.27.26|
Show InChI InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37?,38-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.590n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50009222
PNG
(4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12 |c:23,TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.630n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pigbrain membrane


J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
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
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
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
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
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...)
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...)
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50009222
PNG
(4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12 |c:23,TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.990n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to opioid receptor delta


J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
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 174 total )  |  Next  |  Last  >>
Jump to: