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PubMed code 21782455

Compile data set for download or QSAR
Found 16 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)
BDBM50350679
PNG
(CHEMBL1813751)
Show SMILES CCCCc1nc(Cl)c(\C=C\C(=O)c2ccc[nH]2)n1C
Show InChI InChI=1S/C15H18ClN3O/c1-3-4-7-14-18-15(16)12(19(14)2)8-9-13(20)11-6-5-10-17-11/h5-6,8-10,17H,3-4,7H2,1-2H3/b9-8+
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n/an/a 2.24E+3n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350678
PNG
(CHEMBL1813746)
Show SMILES CCCCc1nc(Cl)c(\C=C\C(=O)c2ccc3sc4ccccc4c3c2)n1C
Show InChI InChI=1S/C23H21ClN2OS/c1-3-4-9-22-25-23(24)18(26(22)2)11-12-19(27)15-10-13-21-17(14-15)16-7-5-6-8-20(16)28-21/h5-8,10-14H,3-4,9H2,1-2H3/b12-11+
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n/an/a 2.68E+3n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350671
PNG
(CHEMBL1813754)
Show SMILES CCCCc1nc(Cl)c(\C=C\C(=O)c2ccc(Cl)s2)n1C
Show InChI InChI=1S/C15H16Cl2N2OS/c1-3-4-5-14-18-15(17)10(19(14)2)6-7-11(20)12-8-9-13(16)21-12/h6-9H,3-5H2,1-2H3/b7-6+
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n/an/a 3.60E+3n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50242280
PNG
((2S,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-di...)
Show SMILES O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-24,26-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50313760
PNG
(1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(4''-meth...)
Show SMILES COc1cc(cc(OC)c1OC)[C-]1CC(c2ccc(OC)c(c2)[N+]([O-])=O)[N+](C)=N1
Show InChI InChI=1S/C20H23N3O6/c1-22-15(12-6-7-17(26-2)16(8-12)23(24)25)11-14(21-22)13-9-18(27-3)20(29-5)19(10-13)28-4/h6-10,15H,11H2,1-5H3
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n/an/a 2.13E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50159318
PNG
((E)-3-(3''-Amino-4''-methoxyphenyl)-1-(3',4',5'-tr...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C19H21NO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,20H2,1-4H3/b7-5+
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n/an/a 2.19E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50313764
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5R,...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-24,26-29H,7H2/t13-,15+,17+,18-,21+/m1/s1
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n/an/a 2.60E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 2.80E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 2.90E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
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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n/an/a 7.30E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350675
PNG
(CHEMBL1813740)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc(Cl)s2)n1C
Show InChI InChI=1S/C17H20Cl2N4OS/c1-4-5-6-15-20-17(19)16(22(15)3)12-9-11(21-23(12)10(2)24)13-7-8-14(18)25-13/h7-8,12H,4-6,9H2,1-3H3
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n/an/a 1.80E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350677
PNG
(CHEMBL1813763)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc3sc4ccccc4c3c2)n1C
Show InChI InChI=1S/C25H25ClN4OS/c1-4-5-10-23-27-25(26)24(29(23)3)20-14-19(28-30(20)15(2)31)16-11-12-22-18(13-16)17-8-6-7-9-21(17)32-22/h6-9,11-13,20H,4-5,10,14H2,1-3H3
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n/an/a 2.01E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350674
PNG
(CHEMBL1813742)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2cc(OC)c(OC)c(OC)c2)n1C
Show InChI InChI=1S/C22H29ClN4O4/c1-7-8-9-19-24-22(23)20(26(19)3)16-12-15(25-27(16)13(2)28)14-10-17(29-4)21(31-6)18(11-14)30-5/h10-11,16H,7-9,12H2,1-6H3
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n/an/a 2.12E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350673
PNG
(CHEMBL1813743)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc(cc2)[N+]([O-])=O)n1C
Show InChI InChI=1S/C19H22ClN5O3/c1-4-5-6-17-21-19(20)18(23(17)3)16-11-15(22-24(16)12(2)26)13-7-9-14(10-8-13)25(27)28/h7-10,16H,4-6,11H2,1-3H3
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n/an/a 2.22E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350672
PNG
(CHEMBL1813744)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc(OC)cc2)n1C
Show InChI InChI=1S/C20H25ClN4O2/c1-5-6-7-18-22-20(21)19(24(18)3)17-12-16(23-25(17)13(2)26)14-8-10-15(27-4)11-9-14/h8-11,17H,5-7,12H2,1-4H3
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n/an/a 2.33E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350676
PNG
(CHEMBL1813739)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccco2)n1C
Show InChI InChI=1S/C17H21ClN4O2/c1-4-5-8-15-19-17(18)16(21(15)3)13-10-12(14-7-6-9-24-14)20-22(13)11(2)23/h6-7,9,13H,4-5,8,10H2,1-3H3
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n/an/a 2.35E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%