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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'gamma-Aminobutyric Acid Type B Receptor Subunit 1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM104978
PNG
(US8575375, C-8)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)C(CC[C@@H]2[N+]([O-])=O)C2CC[C@H]3C[C@](C)(O)CCC3C12
Show InChI InChI=1S/C27H40N2O3/c1-26(30)14-13-20-18(15-26)7-10-21-23-11-12-24(29(31)32)27(23,2)16-22(25(20)21)17-5-8-19(9-6-17)28(3)4/h5-6,8-9,18,20-25,30H,7,10-16H2,1-4H3/t18-,20?,21?,22+,23?,24-,25?,26+,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 9.79n/an/an/an/an/an/a



Research Triangle Institute; The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
[35S]TBPS binding assay.


US Patent US8575375 (2013)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM50055912
PNG
((3alpha,5alpha)-3-hydroxypregnan-20-one) | 1-((3R,...)
Show SMILES CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17+,18?,19?,20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
US Patent
n/an/a 12.6n/an/an/an/an/an/a



Research Triangle Institute; The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
[35S]TBPS binding assay.


US Patent US8575375 (2013)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM104975
PNG
(US8575375, A2-A)
Show SMILES C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC[C@@H]2[N+]([O-])=O
Show InChI InChI=1S/C19H31NO3/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20(22)23)19(15,2)10-8-16(14)18/h12-17,21H,3-11H2,1-2H3/t12-,13+,14?,15?,16?,17-,18-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute; The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
[35S]TBPS binding assay.


US Patent US8575375 (2013)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM104976
PNG
(US8575375, A2-B)
Show SMILES C[C@]12CCC3C(CC[C@H]4C[C@](C)(O)CC[C@]34C)C1CC[C@@H]2[N+]([O-])=O
Show InChI InChI=1S/C20H33NO3/c1-18(22)10-11-19(2)13(12-18)4-5-14-15-6-7-17(21(23)24)20(15,3)9-8-16(14)19/h13-17,22H,4-12H2,1-3H3/t13-,14?,15?,16?,17-,18+,19-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 17.9n/an/an/an/an/an/a



Research Triangle Institute; The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
[35S]TBPS binding assay.


US Patent US8575375 (2013)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM104977
PNG
(US8575375, B-5)
Show SMILES CS[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C20H34OS/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h13-18,21H,4-12H2,1-3H3/t13-,14+,15?,16?,17?,18-,19-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 32n/an/an/an/an/an/a



Research Triangle Institute; The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
[35S]TBPS binding assay.


US Patent US8575375 (2013)

More data for this
Ligand-Target Pair