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PubMed code 24980116

Compile data set for download or QSAR
Found 3 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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021416
PNG
(CHEMBL3289921)
Show SMILES COc1ccc(cc1)C(Nc1nc2c(Cl)cccc2s1)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C25H19ClN2O2S/c1-30-17-12-9-16(10-13-17)23(22-18-6-3-2-5-15(18)11-14-20(22)29)27-25-28-24-19(26)7-4-8-21(24)31-25/h2-14,23,29H,1H3,(H,27,28)
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PubMed
n/an/a 607n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of...

Eur J Med Chem 83: 344-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.035
BindingDB Entry DOI: 10.7270/Q2CZ38R0
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021415
PNG
(CHEMBL3289900)
Show SMILES COc1ccc(cc1)C(Nc1nc2ccccc2s1)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C25H20N2O2S/c1-29-18-13-10-17(11-14-18)24(27-25-26-20-8-4-5-9-22(20)30-25)23-19-7-3-2-6-16(19)12-15-21(23)28/h2-15,24,28H,1H3,(H,26,27)
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PubMed
n/an/a 837n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of...

Eur J Med Chem 83: 344-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.035
BindingDB Entry DOI: 10.7270/Q2CZ38R0
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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PubMed
n/an/a 7.30E+8n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of...

Eur J Med Chem 83: 344-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.035
BindingDB Entry DOI: 10.7270/Q2CZ38R0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%