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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'noble' and Initial = 'f'   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50449787
PNG
(CHEMBL2062154 | PD-134308)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)|
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50061266
PNG
((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(cc1)[N+]([O-])=O |TLB:24:23:25:19.18.20,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,15:16:25:19.18.20|
Show InChI InChI=1S/C33H37N5O8/c1-33(16-21-17-34-28-5-3-2-4-27(21)28,35-32(42)46-37-23-11-19-10-20(13-23)14-24(37)12-19)31(41)36-18-26(15-29(36)30(39)40)45-25-8-6-22(7-9-25)38(43)44/h2-9,17,19-20,23-24,26,29,34H,10-16,18H2,1H3,(H,35,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity (affinity state 1) for Cholecystokinin type B receptor, was determined using CHO cells


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087104
PNG
(C-{[3-Biphenyl-4-yl-2-(carboxymethyl-carbamoyl)-pr...)
Show SMILES [NH3+][C@H](c1ccccc1)P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H27N2O5P/c26-24(21-9-5-2-6-10-21)33(31,32)17-22(25(30)27-16-23(28)29)15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,22,24H,15-17,26H2,(H,27,30)(H,28,29)(H,31,32)/p+1/t22-,24+/m1/s1
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0.940n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087106
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumylethyl](hydroxy)ph...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p+1/t14-,15-,19+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105262
PNG
(2-{3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-biphe...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C([O-])=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15-,19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


J Med Chem 44: 3523-30 (2001)


BindingDB Entry DOI: 10.7270/Q2QN67HK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087088
PNG
((2S)-2-[(2S)-3-[(1-azaniumylethyl)(hydroxy)phospho...)
Show SMILES CC([NH3+])P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p+1/t14-,15?,19+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087089
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumyl-2-phenylethyl](h...)
Show SMILES [NH3+][C@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/p+1/t23-,24+,25+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


J Med Chem 44: 3523-30 (2001)


BindingDB Entry DOI: 10.7270/Q2QN67HK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087095
PNG
(1-{[3-(4-Bromo-phenyl)-2-(1-carboxy-ethylcarbamoyl...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C15H22BrN2O5P/c1-9(15(20)21)18-14(19)12(8-24(22,23)10(2)17)7-11-3-5-13(16)6-4-11/h3-6,9-10,12H,7-8,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/p+1/t9-,10-,12+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50061270
PNG
((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |TLB:24:23:25:19.18.20,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,15:16:25:19.18.20|
Show InChI InChI=1S/C33H36Cl2N4O6/c1-33(15-20-16-36-27-5-3-2-4-25(20)27,37-32(43)45-39-22-9-18-8-19(11-22)12-23(39)10-18)31(42)38-17-24(14-28(38)30(40)41)44-29-7-6-21(34)13-26(29)35/h2-7,13,16,18-19,22-24,28,36H,8-12,14-15,17H2,1H3,(H,37,43)(H,40,41)/t18-,19+,22-,23+,24-,28-,33-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity (affinity state 1) for Cholecystokinin type B receptor, was determined using CHO cells


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105263
PNG
(2-{3-[(Amino-phenyl-methyl)-hydroxy-phosphinoyl]-2...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])c1ccccc1)C([O-])=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t18-,23-,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


J Med Chem 44: 3523-30 (2001)


BindingDB Entry DOI: 10.7270/Q2QN67HK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105261
PNG
(1-[2-(1-Benzyloxycarbonyl-2-phenyl-ethylcarbamoyl)...)
Show SMILES CSCC[C@H]([NH3+])CSSC[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/p+1/t27-,28+,29?/m1/s1
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2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


J Med Chem 44: 3523-30 (2001)


BindingDB Entry DOI: 10.7270/Q2QN67HK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087113
PNG
((2S)-2-[(2S)-3-{[(S)-azaniumyl(phenyl)methyl](hydr...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/p+1/t18-,23+,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087085
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumyl-2-phenylethyl](h...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c1-19(27(31)32)29-26(30)24(18-35(33,34)25(28)17-20-8-4-2-5-9-20)16-21-12-14-23(15-13-21)22-10-6-3-7-11-22/h2-15,19,24-25H,16-18,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)/p+1/t19-,24+,25-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087097
PNG
(1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-3-phenyl...)
Show SMILES CC([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O5P/c1-15(22)29(27,28)14-18(12-16-8-4-2-5-9-16)20(24)23-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,22H2,1H3,(H,23,24)(H,25,26)(H,27,28)/p+1/t15?,18-,19+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087084
PNG
(1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-3-phenyl...)
Show SMILES [NH3+]C(CCc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H33N2O5P/c29-26(17-16-21-10-4-1-5-11-21)36(34,35)20-24(18-22-12-6-2-7-13-22)27(31)30-25(28(32)33)19-23-14-8-3-9-15-23/h1-15,24-26H,16-20,29H2,(H,30,31)(H,32,33)(H,34,35)/p+1/t24-,25+,26?/m1/s1
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2.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087085
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumyl-2-phenylethyl](h...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c1-19(27(31)32)29-26(30)24(18-35(33,34)25(28)17-20-8-4-2-5-9-20)16-21-12-14-23(15-13-21)22-10-6-3-7-11-22/h2-15,19,24-25H,16-18,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)/p+1/t19-,24+,25-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087093
PNG
(1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-3-phenyl...)
Show SMILES CCC([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N2O5P/c1-2-20(23)30(28,29)15-18(13-16-9-5-3-6-10-16)21(25)24-19(22(26)27)14-17-11-7-4-8-12-17/h3-12,18-20H,2,13-15,23H2,1H3,(H,24,25)(H,26,27)(H,28,29)/p+1/t18-,19+,20?/m1/s1
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2.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087094
PNG
((R,S,S)1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4...)
Show SMILES CC(C)C[C@H](CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-20(16-32(30,31)22(25)15-19-11-7-4-8-12-19)23(27)26-21(24(28)29)14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22+/m1/s1
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2.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087100
PNG
((2S)-2-[(2S)-3-{[azaniumyl(phenyl)methyl](hydroxy)...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)C([NH3+])c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/p+1/t18-,23+,24?/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50105262
PNG
(2-{3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-biphe...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C([O-])=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15-,19-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, aminopeptidase N(APN)


J Med Chem 44: 3523-30 (2001)


BindingDB Entry DOI: 10.7270/Q2QN67HK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087106
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumylethyl](hydroxy)ph...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p+1/t14-,15-,19+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087089
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumyl-2-phenylethyl](h...)
Show SMILES [NH3+][C@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/p+1/t23-,24+,25+/m1/s1
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2.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087114
PNG
(C-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-3-phenyl...)
Show SMILES Cc1ccc(cc1)C([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c1-19-12-14-22(15-13-19)25(28)35(33,34)18-23(16-20-8-4-2-5-9-20)26(30)29-24(27(31)32)17-21-10-6-3-7-11-21/h2-15,23-25H,16-18,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)/p+1/t23-,24+,25?/m1/s1
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3.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087096
PNG
(1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-3-phenyl...)
Show SMILES CC(C)CC([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-22(25)32(30,31)16-20(14-18-9-5-3-6-10-18)23(27)26-21(24(28)29)15-19-11-7-4-8-12-19/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22?/m1/s1
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087101
PNG
(1-{[3-Biphenyl-4-yl-2-(1-carboxy-propylcarbamoyl)-...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)C([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H33N2O5P/c1-2-25(28(32)33)30-27(31)24(19-36(34,35)26(29)18-20-9-5-3-6-10-20)17-21-13-15-23(16-14-21)22-11-7-4-8-12-22/h3-16,24-26H,2,17-19,29H2,1H3,(H,30,31)(H,32,33)(H,34,35)/p+1/t24-,25+,26?/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087105
PNG
(1-{[3-Biphenyl-4-yl-2-(1-carboxy-2-phenyl-ethylcar...)
Show SMILES CC([NH3+])P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c1-19(28)35(33,34)18-24(16-21-12-14-23(15-13-21)22-10-6-3-7-11-22)26(30)29-25(27(31)32)17-20-8-4-2-5-9-20/h2-15,19,24-25H,16-18,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)/p+1/t19?,24-,25+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087111
PNG
((2S)-2-[(2S)-3-{[(S)-azaniumyl(phenyl)methyl](hydr...)
Show SMILES [NH3+][C@H](c1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O5P/c27-24(21-14-8-3-9-15-21)34(32,33)18-22(16-19-10-4-1-5-11-19)25(29)28-23(26(30)31)17-20-12-6-2-7-13-20/h1-15,22-24H,16-18,27H2,(H,28,29)(H,30,31)(H,32,33)/p+1/t22-,23+,24+/m1/s1
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4.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087098
PNG
((2S)-2-[(2S)-3-{[azaniumyl(phenyl)methyl](hydroxy)...)
Show SMILES [NH3+]C(c1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O5P/c27-24(21-14-8-3-9-15-21)34(32,33)18-22(16-19-10-4-1-5-11-19)25(29)28-23(26(30)31)17-20-12-6-2-7-13-20/h1-15,22-24H,16-18,27H2,(H,28,29)(H,30,31)(H,32,33)/p+1/t22-,23+,24?/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087094
PNG
((R,S,S)1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4...)
Show SMILES CC(C)C[C@H](CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-20(16-32(30,31)22(25)15-19-11-7-4-8-12-19)23(27)26-21(24(28)29)14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22+/m1/s1
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4.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50105263
PNG
(2-{3-[(Amino-phenyl-methyl)-hydroxy-phosphinoyl]-2...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])c1ccccc1)C([O-])=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t18-,23-,24-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, aminopeptidase N(APN)


J Med Chem 44: 3523-30 (2001)


BindingDB Entry DOI: 10.7270/Q2QN67HK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087113
PNG
((2S)-2-[(2S)-3-{[(S)-azaniumyl(phenyl)methyl](hydr...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/p+1/t18-,23+,24-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087095
PNG
(1-{[3-(4-Bromo-phenyl)-2-(1-carboxy-ethylcarbamoyl...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C15H22BrN2O5P/c1-9(15(20)21)18-14(19)12(8-24(22,23)10(2)17)7-11-3-5-13(16)6-4-11/h3-6,9-10,12H,7-8,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/p+1/t9-,10-,12+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087119
PNG
(C-{[3-Biphenyl-4-yl-2-(1-carboxy-2-hydroxy-ethylca...)
Show SMILES [NH3+][C@H](c1ccccc1)P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C26H29N2O6P/c27-24(21-9-5-2-6-10-21)35(33,34)17-22(25(30)28-23(16-29)26(31)32)15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,22-24,29H,15-17,27H2,(H,28,30)(H,31,32)(H,33,34)/p+1/t22-,23+,24+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087088
PNG
((2S)-2-[(2S)-3-[(1-azaniumylethyl)(hydroxy)phospho...)
Show SMILES CC([NH3+])P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p+1/t14-,15?,19+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087085
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumyl-2-phenylethyl](h...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c1-19(27(31)32)29-26(30)24(18-35(33,34)25(28)17-20-8-4-2-5-9-20)16-21-12-14-23(15-13-21)22-10-6-3-7-11-22/h2-15,19,24-25H,16-18,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)/p+1/t19-,24+,25-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50061276
PNG
((R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show InChI InChI=1S/C34H38ClN3O5/c1-34(16-25-17-36-28-5-3-2-4-27(25)28,37-33(42)43-30-22-11-19-10-20(13-22)14-23(30)12-19)32(41)38-18-24(15-29(38)31(39)40)21-6-8-26(35)9-7-21/h2-9,17,19-20,22-24,29-30,36H,10-16,18H2,1H3,(H,37,42)(H,39,40)/t19-,20+,22-,23+,24?,29-,30?,34-/m1/s1
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6.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087109
PNG
(1-{[3-Biphenyl-4-yl-2-(1-carboxy-3-methyl-butylcar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)C([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H37N2O5P/c1-21(2)17-27(30(34)35)32-29(33)26(20-38(36,37)28(31)19-22-9-5-3-6-10-22)18-23-13-15-25(16-14-23)24-11-7-4-8-12-24/h3-16,21,26-28H,17-20,31H2,1-2H3,(H,32,33)(H,34,35)(H,36,37)/p+1/t26-,27+,28?/m1/s1
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6.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087112
PNG
(1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-3-phenyl...)
Show SMILES CSCCC([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H31N2O5PS/c1-32-13-12-21(24)31(29,30)16-19(14-17-8-4-2-5-9-17)22(26)25-20(23(27)28)15-18-10-6-3-7-11-18/h2-11,19-21H,12-16,24H2,1H3,(H,25,26)(H,27,28)(H,29,30)/p+1/t19-,20+,21?/m1/s1
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6.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087102
PNG
(1-{[2-(1-Carboxy-3-methyl-butylcarbamoyl)-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)CP(O)(=O)C([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-21(24(28)29)26-23(27)20(14-18-9-5-3-6-10-18)16-32(30,31)22(25)15-19-11-7-4-8-12-19/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22?/m1/s1
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6.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50061267
PNG
((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(F)cc1F |TLB:24:23:25:19.18.20,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,15:16:25:19.18.20|
Show InChI InChI=1S/C33H36F2N4O6/c1-33(15-20-16-36-27-5-3-2-4-25(20)27,37-32(43)45-39-22-9-18-8-19(11-22)12-23(39)10-18)31(42)38-17-24(14-28(38)30(40)41)44-29-7-6-21(34)13-26(29)35/h2-7,13,16,18-19,22-24,28,36H,8-12,14-15,17H2,1H3,(H,37,43)(H,40,41)/t18-,19+,22-,23+,24-,28-,33-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity (affinity state 1) for Cholecystokinin type B receptor, was determined using CHO cells


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50449787
PNG
(CHEMBL2062154 | PD-134308)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)|
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1
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7.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against rat brain Cholecystokinin type B receptor expressed in CHO cells.


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087107
PNG
(C-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-methyl...)
Show SMILES CC(C)C[C@H](CP(O)(=O)C([NH3+])c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H31N2O5P/c1-16(2)13-19(15-31(29,30)21(24)18-11-7-4-8-12-18)22(26)25-20(23(27)28)14-17-9-5-3-6-10-17/h3-12,16,19-21H,13-15,24H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)/p+1/t19-,20+,21?/m1/s1
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7.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087090
PNG
(C-({2-[(Carboxy-phenyl-methyl)-carbamoyl]-3-phenyl...)
Show SMILES [NH3+]C(c1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H27N2O5P/c26-23(20-14-8-3-9-15-20)33(31,32)17-21(16-18-10-4-1-5-11-18)24(28)27-22(25(29)30)19-12-6-2-7-13-19/h1-15,21-23H,16-17,26H2,(H,27,28)(H,29,30)(H,31,32)/p+1/t21-,22+,23?/m1/s1
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10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087116
PNG
(C-{[3-Biphenyl-4-yl-2-(1-carboxy-2-hydroxy-propylc...)
Show SMILES CC(O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O6P/c1-18(30)24(27(32)33)29-26(31)23(17-36(34,35)25(28)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-25,30H,16-17,28H2,1H3,(H,29,31)(H,32,33)(H,34,35)/p+1/t18?,23-,24+,25+/m1/s1
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10.2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50105261
PNG
(1-[2-(1-Benzyloxycarbonyl-2-phenyl-ethylcarbamoyl)...)
Show SMILES CSCC[C@H]([NH3+])CSSC[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/p+1/t27-,28+,29?/m1/s1
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11n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, aminopeptidase N(APN)


J Med Chem 44: 3523-30 (2001)


BindingDB Entry DOI: 10.7270/Q2QN67HK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087110
PNG
(1-{[2-(1-Carboxy-ethylcarbamoyl)-3-(4-isopropyl-ph...)
Show SMILES CC(C)c1ccc(C[C@H](CP(O)(=O)C(C)[NH3+])C(=O)N[C@@H](C)C(O)=O)cc1
Show InChI InChI=1S/C18H29N2O5P/c1-11(2)15-7-5-14(6-8-15)9-16(10-26(24,25)13(4)19)17(21)20-12(3)18(22)23/h5-8,11-13,16H,9-10,19H2,1-4H3,(H,20,21)(H,22,23)(H,24,25)/p+1/t12-,13?,16+/m0/s1
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11.4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50087086
PNG
(1-{[2-(2-Biphenyl-4-yl-1-carboxy-ethylcarbamoyl)-3...)
Show SMILES [NH3+]C(Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C33H35N2O5P/c34-31(22-25-12-6-2-7-13-25)41(39,40)23-29(20-24-10-4-1-5-11-24)32(36)35-30(33(37)38)21-26-16-18-28(19-17-26)27-14-8-3-9-15-27/h1-19,29-31H,20-23,34H2,(H,35,36)(H,37,38)(H,39,40)/p+1/t29-,30+,31?/m1/s1
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11.7n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087119
PNG
(C-{[3-Biphenyl-4-yl-2-(1-carboxy-2-hydroxy-ethylca...)
Show SMILES [NH3+][C@H](c1ccccc1)P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C26H29N2O6P/c27-24(21-9-5-2-6-10-21)35(33,34)17-22(25(30)28-23(16-29)26(31)32)15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,22-24,29H,15-17,27H2,(H,28,30)(H,31,32)(H,33,34)/p+1/t22-,23+,24+/m1/s1
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11.8n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
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