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SMILES: CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1

InChI Key: InChIKey=JYCQQPHGFMYQCF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 81480   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM81480
PNG
(CAS_118-96-7 | CAS_5590 | NSC_5590 | Triton,(+) | ...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 24: 1849-54 (1979)


Article DOI: 10.1016/0024-3205(79)90235-2
BindingDB Entry DOI: 10.7270/Q2639N7X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM81480
PNG
(CAS_118-96-7 | CAS_5590 | NSC_5590 | Triton,(+) | ...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
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PubMed
9.5n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 24: 1849-54 (1979)


Article DOI: 10.1016/0024-3205(79)90235-2
BindingDB Entry DOI: 10.7270/Q2639N7X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM81480
PNG
(CAS_118-96-7 | CAS_5590 | NSC_5590 | Triton,(+) | ...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
PDB

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PubMed
15.5n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 24: 1849-54 (1979)


Article DOI: 10.1016/0024-3205(79)90235-2
BindingDB Entry DOI: 10.7270/Q2639N7X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM81480
PNG
(CAS_118-96-7 | CAS_5590 | NSC_5590 | Triton,(+) | ...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
PDB

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Article
PubMed
23.5n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 24: 1849-54 (1979)


Article DOI: 10.1016/0024-3205(79)90235-2
BindingDB Entry DOI: 10.7270/Q2639N7X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM81480
PNG
(CAS_118-96-7 | CAS_5590 | NSC_5590 | Triton,(+) | ...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
PDB

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Article
PubMed
48n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 24: 1849-54 (1979)


Article DOI: 10.1016/0024-3205(79)90235-2
BindingDB Entry DOI: 10.7270/Q2639N7X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM81480
PNG
(CAS_118-96-7 | CAS_5590 | NSC_5590 | Triton,(+) | ...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem

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Article
PubMed
52.5n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 24: 1849-54 (1979)


Article DOI: 10.1016/0024-3205(79)90235-2
BindingDB Entry DOI: 10.7270/Q2639N7X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM81480
PNG
(CAS_118-96-7 | CAS_5590 | NSC_5590 | Triton,(+) | ...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
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Purchase

MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
104n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 24: 1849-54 (1979)


Article DOI: 10.1016/0024-3205(79)90235-2
BindingDB Entry DOI: 10.7270/Q2639N7X
More data for this
Ligand-Target Pair