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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Hrh3 protein' and Ligand = 'BDBM22888'   
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
Hrh3 protein


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
KEGG

UniProtKB/TrEMBL

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PubMed
47.9n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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Article
PubMed
63.1n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
KEGG

UniProtKB/TrEMBL

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PubMed
68n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
KEGG

UniProtKB/TrEMBL

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PubMed
70n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
KEGG

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
180n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair