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PubMed code 1321744

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81541
PNG
(CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...)
Show SMILES CC(N)C(C)c1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)
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PubMed
0.0300n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81543
PNG
(Alpha-Dimethylhistane-alpha | CAS_195960 | NSC_195...)
Show SMILES CNC(C)Cc1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10)
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PubMed
0.200n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81541
PNG
(CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...)
Show SMILES CC(N)C(C)c1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)
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PubMed
0.200n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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PubMed
0.5n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81542
PNG
(Beta-Methylhistamine | CAS_565544 | NSC_565544)
Show SMILES CC(CN)c1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)
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PubMed
0.800n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81542
PNG
(Beta-Methylhistamine | CAS_565544 | NSC_565544)
Show SMILES CC(CN)c1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)
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PubMed
0.900n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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PubMed
1n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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PubMed
100n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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PubMed
100n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
UniProtKB/SwissProt

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UniChem

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PubMed
100n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM81543
PNG
(Alpha-Dimethylhistane-alpha | CAS_195960 | NSC_195...)
Show SMILES CNC(C)Cc1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10)
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PubMed
270n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM81542
PNG
(Beta-Methylhistamine | CAS_565544 | NSC_565544)
Show SMILES CC(CN)c1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)
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PubMed
282n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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PubMed
1.55E+3n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM81541
PNG
(CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...)
Show SMILES CC(N)C(C)c1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)
UniProtKB/SwissProt

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PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%