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PubMed code 7903385

Compile data set for download or QSAR
Found 2 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
adrenergic Alpha2


(PIG)
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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PC sid
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Similars

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 267: 1126-33 (1993)


Article DOI: 10.1002/cbic.201402673
BindingDB Entry DOI: 10.7270/Q28P5Z1X
More data for this
Ligand-Target Pair
adrenergic Alpha2


(PIG)
BDBM50030614
PNG
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)
Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
54.5n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 267: 1126-33 (1993)


Article DOI: 10.1002/cbic.201402673
BindingDB Entry DOI: 10.7270/Q28P5Z1X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%