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Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'brown' and Initial = 'je'   
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


(GUINEA PIG)
BDBM50071491
PNG
(4-(1H-Imidazol-4-yl)-butyramidine | CHEMBL72156 | ...)
Show SMILES NC(=N)CCCc1cnc[nH]1
Show InChI InChI=1S/C7H12N4/c8-7(9)3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes


Bioorg Med Chem Lett 8: 2263-8 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WH3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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5.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071496
PNG
(CHEMBL73053 | N-(4-Chloro-benzyl)-2-[4-(1H-imidazo...)
Show SMILES Clc1ccc(CNC(=N)Cc2ccc(Cc3cnc[nH]3)cc2)cc1
Show InChI InChI=1S/C19H19ClN4/c20-17-7-5-16(6-8-17)11-23-19(21)10-15-3-1-14(2-4-15)9-18-12-22-13-24-18/h1-8,12-13H,9-11H2,(H2,21,23)(H,22,24)
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7.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes


Bioorg Med Chem Lett 8: 2263-8 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WH3
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes


Bioorg Med Chem Lett 8: 2263-8 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WH3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023962
PNG
(2-[(2,2-Dibromo-cyclopropanecarbonyl)-amino]-hex-2...)
Show SMILES CCC\C=C(/NC(=O)C1CC1(Br)Br)C(O)=O
Show InChI InChI=1S/C10H13Br2NO3/c1-2-3-4-7(9(15)16)13-8(14)6-5-10(6,11)12/h4,6H,2-3,5H2,1H3,(H,13,14)(H,15,16)/b7-4-
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071492
PNG
(CHEMBL312341 | N-(4-Chloro-benzyl)-4-(1H-imidazol-...)
Show SMILES NC(=NCc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1 |w:2.2|
Show InChI InChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23)
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes


Bioorg Med Chem Lett 8: 2263-8 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WH3
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023979
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-7-(3...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCSc1ncccc1O)C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-18(2)11-12(18)15(22)20-13(17(23)24)7-4-3-5-10-25-16-14(21)8-6-9-19-16/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,20,22)(H,23,24)/b13-7-
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024024
PNG
(2-[(2,2-Dibromo-cyclopropanecarbonyl)-amino]-but-2...)
Show SMILES C\C=C(/NC(=O)C1CC1(Br)Br)C(O)=O
Show InChI InChI=1S/C8H9Br2NO3/c1-2-5(7(13)14)11-6(12)4-3-8(4,9)10/h2,4H,3H2,1H3,(H,11,12)(H,13,14)/b5-2-
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071488
PNG
(4-(1H-Imidazol-4-ylmethyl)-benzamidine | CHEMBL736...)
Show SMILES NC(=N)c1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C11H12N4/c12-11(13)9-3-1-8(2-4-9)5-10-6-14-7-15-10/h1-4,6-7H,5H2,(H3,12,13)(H,14,15)
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes


Bioorg Med Chem Lett 8: 2263-8 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WH3
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023951
PNG
(2-{6-Carboxy-6-[(2,2-dimethyl-cyclopropanecarbonyl...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCSc1ncccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C19H24N2O5S/c1-19(2)11-13(19)15(22)21-14(18(25)26)8-4-3-5-10-27-16-12(17(23)24)7-6-9-20-16/h6-9,13H,3-5,10-11H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)/b14-8-
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024072
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-8-et...)
Show SMILES CCOC(=S)SCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C17H27NO4S2/c1-4-22-16(23)24-10-8-6-5-7-9-13(15(20)21)18-14(19)12-11-17(12,2)3/h9,12H,4-8,10-11H2,1-3H3,(H,18,19)(H,20,21)/b13-9-
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44n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023999
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-hept...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C13H19NO5/c1-13(2)7-8(13)11(17)14-9(12(18)19)5-3-4-6-10(15)16/h5,8H,3-4,6-7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/b9-5-
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024019
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-oct-...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C14H21NO5/c1-14(2)8-9(14)12(18)15-10(13(19)20)6-4-3-5-7-11(16)17/h6,9H,3-5,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/b10-6-
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58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024071
PNG
(2-[(2,2-Dichloro-cyclopropanecarbonyl)-amino]-oct-...)
Show SMILES CCCCC\C=C(/NC(=O)C1CC1(Cl)Cl)C(O)=O
Show InChI InChI=1S/C12H17Cl2NO3/c1-2-3-4-5-6-9(11(17)18)15-10(16)8-7-12(8,13)14/h6,8H,2-5,7H2,1H3,(H,15,16)(H,17,18)/b9-6-
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50367508
PNG
(CHEMBL1907817)
Show SMILES CC(=O)NC(CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(O)=O)C([O-])=O |r|
Show InChI InChI=1S/C18H28N2O6S/c1-11(21)19-14(17(25)26)10-27-8-6-4-5-7-13(16(23)24)20-15(22)12-9-18(12,2)3/h7,12,14H,4-6,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/p-1/b13-7-/t12-,14?/m1/s1
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50289120
PNG
(4-Methyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyr...)
Show SMILES CC1CC[NH+](CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 |(12.85,-13.4,;12.69,-11.8,;11.32,-11.17,;11.19,-9.63,;12.48,-8.72,;12.36,-7.22,;10.96,-6.53,;9.68,-7.39,;10.84,-4.96,;12.17,-4.19,;13.39,-5.12,;14.84,-4.54,;15.03,-3.07,;13.83,-2.1,;12.39,-2.69,;11.35,-1.55,;11.88,-.08,;9.79,-1.68,;8.93,-2.98,;7.41,-2.67,;6.4,-3.79,;6.89,-5.24,;8.36,-5.55,;9.4,-4.42,;13.86,-9.38,;13.99,-10.92,)|
Show InChI InChI=1S/C20H22N4O2/c1-14-8-11-23(12-9-14)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26)/p+1
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023983
PNG
(2-[(2,2-Dichloro-cyclopropanecarbonyl)-amino]-but-...)
Show SMILES C\C=C(/NC(=O)C1CC1(Cl)Cl)C(O)=O
Show InChI InChI=1S/C8H9Cl2NO3/c1-2-5(7(13)14)11-6(12)4-3-8(4,9)10/h2,4H,3H2,1H3,(H,11,12)(H,13,14)/b5-2-
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50367506
PNG
(CHEMBL1907823)
Show SMILES CCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(O)=O |r|
Show InChI InChI=1S/C14H23NO3/c1-4-5-6-7-8-11(13(17)18)15-12(16)10-9-14(10,2)3/h8,10H,4-7,9H2,1-3H3,(H,15,16)(H,17,18)/b11-8-/t10-/m1/s1
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50289120
PNG
(4-Methyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyr...)
Show SMILES CC1CC[NH+](CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 |(12.85,-13.4,;12.69,-11.8,;11.32,-11.17,;11.19,-9.63,;12.48,-8.72,;12.36,-7.22,;10.96,-6.53,;9.68,-7.39,;10.84,-4.96,;12.17,-4.19,;13.39,-5.12,;14.84,-4.54,;15.03,-3.07,;13.83,-2.1,;12.39,-2.69,;11.35,-1.55,;11.88,-.08,;9.79,-1.68,;8.93,-2.98,;7.41,-2.67,;6.4,-3.79,;6.89,-5.24,;8.36,-5.55,;9.4,-4.42,;13.86,-9.38,;13.99,-10.92,)|
Show InChI InChI=1S/C20H22N4O2/c1-14-8-11-23(12-9-14)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26)/p+1
UniProtKB/SwissProt

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82n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023933
PNG
(8-Cyano-2-[(2,2-dimethyl-cyclopropanecarbonyl)-ami...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCCC#N)C(O)=O
Show InChI InChI=1S/C15H22N2O3/c1-15(2)10-11(15)13(18)17-12(14(19)20)8-6-4-3-5-7-9-16/h8,11H,3-7,10H2,1-2H3,(H,17,18)(H,19,20)/b12-8-
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82n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024023
PNG
(CHEMBL276215 | Sodium; 6-carboxy-6-[(2,2-dimethyl-...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCS([O-])(=O)=O)C(O)=O
Show InChI InChI=1S/C13H21NO6S/c1-13(2)8-9(13)11(15)14-10(12(16)17)6-4-3-5-7-21(18,19)20/h6,9H,3-5,7-8H2,1-2H3,(H,14,15)(H,16,17)(H,18,19,20)/p-1/b10-6-
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87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024055
PNG
(2-{6-Carboxy-6-[(2,2-dimethyl-cyclopropanecarbonyl...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCSc1ccccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H25NO5S/c1-20(2)12-14(20)17(22)21-15(19(25)26)9-4-3-7-11-27-16-10-6-5-8-13(16)18(23)24/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)/b15-9-
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023947
PNG
(2,11-Bis-[(2,2-dimethyl-cyclopropanecarbonyl)-amin...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H36N2O6/c1-23(2)13-15(23)19(27)25-17(21(29)30)11-9-7-5-6-8-10-12-18(22(31)32)26-20(28)16-14-24(16,3)4/h11-12,15-16H,5-10,13-14H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/b17-11-,18-12-
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92n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024044
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-dec-...)
Show SMILES CCCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C16H27NO3/c1-4-5-6-7-8-9-10-13(15(19)20)17-14(18)12-11-16(12,2)3/h10,12H,4-9,11H2,1-3H3,(H,17,18)(H,19,20)/b13-10-
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96n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023992
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-7-ph...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCSc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H25NO3S/c1-19(2)13-15(19)17(21)20-16(18(22)23)11-7-4-8-12-24-14-9-5-3-6-10-14/h3,5-6,9-11,15H,4,7-8,12-13H2,1-2H3,(H,20,21)(H,22,23)/b16-11-
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50367502
PNG
(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024045
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-hex-...)
Show SMILES CCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C12H19NO3/c1-4-5-6-9(11(15)16)13-10(14)8-7-12(8,2)3/h6,8H,4-5,7H2,1-3H3,(H,13,14)(H,15,16)/b9-6-
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024042
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-unde...)
Show SMILES CCCCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C17H29NO3/c1-4-5-6-7-8-9-10-11-14(16(20)21)18-15(19)13-12-17(13,2)3/h11,13H,4-10,12H2,1-3H3,(H,18,19)(H,20,21)/b14-11-
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023995
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-dode...)
Show SMILES CCCCCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C18H31NO3/c1-4-5-6-7-8-9-10-11-12-15(17(21)22)19-16(20)14-13-18(14,2)3/h12,14H,4-11,13H2,1-3H3,(H,19,20)(H,21,22)/b15-12-
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023990
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-hept...)
Show SMILES CCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C13H21NO3/c1-4-5-6-7-10(12(16)17)14-11(15)9-8-13(9,2)3/h7,9H,4-6,8H2,1-3H3,(H,14,15)(H,16,17)/b10-7-
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023942
PNG
(10-Bromo-2-[(2,2-dimethyl-cyclopropanecarbonyl)-am...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCCCCBr)C(O)=O
Show InChI InChI=1S/C16H26BrNO3/c1-16(2)11-12(16)14(19)18-13(15(20)21)9-7-5-3-4-6-8-10-17/h9,12H,3-8,10-11H2,1-2H3,(H,18,19)(H,20,21)/b13-9-
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024036
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-5-me...)
Show SMILES CSCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C12H19NO3S/c1-12(2)7-8(12)10(14)13-9(11(15)16)5-4-6-17-3/h5,8H,4,6-7H2,1-3H3,(H,13,14)(H,15,16)/b9-5-
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024003
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-6-(3...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCSc1ncccc1O)C(O)=O
Show InChI InChI=1S/C17H22N2O4S/c1-17(2)10-11(17)14(21)19-12(16(22)23)6-3-4-9-24-15-13(20)7-5-8-18-15/h5-8,11,20H,3-4,9-10H2,1-2H3,(H,19,21)(H,22,23)/b12-6-
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024069
PNG
(7-Carboxymethylsulfanyl-2-[(2,2-dimethyl-cycloprop...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCSCC(O)=O)C(O)=O
Show InChI InChI=1S/C15H23NO5S/c1-15(2)8-10(15)13(19)16-11(14(20)21)6-4-3-5-7-22-9-12(17)18/h6,10H,3-5,7-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/b11-6-
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071494
PNG
(4-(1H-Imidazol-4-ylmethyl)-N-(4-trifluoromethyl-be...)
Show SMILES NC(=NCc1ccc(cc1)C(F)(F)F)c1ccc(Cc2cnc[nH]2)cc1 |w:2.2|
Show InChI InChI=1S/C19H17F3N4/c20-19(21,22)16-7-3-14(4-8-16)10-25-18(23)15-5-1-13(2-6-15)9-17-11-24-12-26-17/h1-8,11-12H,9-10H2,(H2,23,25)(H,24,26)
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140n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes


Bioorg Med Chem Lett 8: 2263-8 (1999)


BindingDB Entry DOI: 10.7270/Q2TD9WH3
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023971
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-hex-...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCC(O)=O)C(O)=O
Show InChI InChI=1S/C12H17NO5/c1-12(2)6-7(12)10(16)13-8(11(17)18)4-3-5-9(14)15/h4,7H,3,5-6H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/b8-4-
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024078
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-trid...)
Show SMILES CCCCCCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C19H33NO3/c1-4-5-6-7-8-9-10-11-12-13-16(18(22)23)20-17(21)15-14-19(15,2)3/h13,15H,4-12,14H2,1-3H3,(H,20,21)(H,22,23)/b16-13-
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024059
PNG
(7-Bromo-2-[(2,2-dimethyl-cyclopropanecarbonyl)-ami...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCBr)C(O)=O
Show InChI InChI=1S/C13H20BrNO3/c1-13(2)8-9(13)11(16)15-10(12(17)18)6-4-3-5-7-14/h6,9H,3-5,7-8H2,1-2H3,(H,15,16)(H,17,18)/b10-6-
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023963
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-6-me...)
Show SMILES CC(C)CC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C14H23NO3/c1-9(2)6-5-7-11(13(17)18)15-12(16)10-8-14(10,3)4/h7,9-10H,5-6,8H2,1-4H3,(H,15,16)(H,17,18)/b11-7-
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024012
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-8-me...)
Show SMILES CSCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C15H25NO3S/c1-15(2)10-11(15)13(17)16-12(14(18)19)8-6-4-5-7-9-20-3/h8,11H,4-7,9-10H2,1-3H3,(H,16,17)(H,18,19)/b12-8-
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50367505
PNG
(CHEMBL1907816)
Show SMILES CNC(CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H28N2O5S/c1-17(2)9-11(17)14(20)19-12(15(21)22)7-5-4-6-8-25-10-13(18-3)16(23)24/h7,11,13,18H,4-6,8-10H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)/b12-7-/t11-,13?/m1/s1
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50023946
PNG
(4-Cyclohexyl-2-[(2,2-dimethyl-cyclopropanecarbonyl...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C16H25NO3/c1-16(2)10-12(16)14(18)17-13(15(19)20)9-8-11-6-4-3-5-7-11/h9,11-12H,3-8,10H2,1-2H3,(H,17,18)(H,19,20)/b13-9-
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50367507
PNG
(CHEMBL1237318)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCCSC1=NCCS1)C(O)=O |t:17|
Show InChI InChI=1S/C17H26N2O3S2/c1-17(2)11-12(17)14(20)19-13(15(21)22)7-5-3-4-6-9-23-16-18-8-10-24-16/h7,12H,3-6,8-11H2,1-2H3,(H,19,20)(H,21,22)/b13-7-
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024005
PNG
(9-Bromo-2-[(2,2-dimethyl-cyclopropanecarbonyl)-ami...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCCCBr)C(O)=O
Show InChI InChI=1S/C15H24BrNO3/c1-15(2)10-11(15)13(18)17-12(14(19)20)8-6-4-3-5-7-9-16/h8,11H,3-7,9-10H2,1-2H3,(H,17,18)(H,19,20)/b12-8-
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50367509
PNG
(CHEMBL1907822)
Show SMILES CC(NCCCCCC=C(NC(=O)[C@H]1CC1(C)C)C(O)=O)P(O)(O)=O |r,w:8.7|
Show InChI InChI=1S/C16H29N2O6P/c1-11(25(22,23)24)17-9-7-5-4-6-8-13(15(20)21)18-14(19)12-10-16(12,2)3/h8,11-12,17H,4-7,9-10H2,1-3H3,(H,18,19)(H,20,21)(H2,22,23,24)/t11?,12-/m1/s1
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024053
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-7-me...)
Show SMILES COCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C14H23NO4/c1-14(2)9-10(14)12(16)15-11(13(17)18)7-5-4-6-8-19-3/h7,10H,4-6,8-9H2,1-3H3,(H,15,16)(H,17,18)/b11-7-
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50024066
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-non-...)
Show SMILES CCCCCC\C=C(/NC(=O)C1CC1(C)C)C(O)=O
Show InChI InChI=1S/C15H25NO3/c1-4-5-6-7-8-9-12(14(18)19)16-13(17)11-10-15(11,2)3/h9,11H,4-8,10H2,1-3H3,(H,16,17)(H,18,19)/b12-9-
KEGG

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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


J Med Chem 30: 1074-90 (1987)


BindingDB Entry DOI: 10.7270/Q2F47PQC
More data for this
Ligand-Target Pair
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