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Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'misicka' and Initial = 'a'   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069559
PNG
(Biphalin Analogue | CHEMBL2371057)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-17-21-39(65)22-18-33)49(69)57-29-47(67)61-45(27-37-13-7-11-35-9-3-5-15-41(35)37)53(73)63-64-54(74)46(28-38-14-8-12-36-10-4-6-16-42(36)38)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-19-23-40(66)24-20-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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0.790n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069560
PNG
(Biphalin Analogue | CHEMBL2371080)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H46F10N10O10/c1-17(61-43(73)25(57)11-19-3-7-21(67)8-4-19)41(71)59-15-29(69)63-27(13-23-31(47)35(51)39(55)36(52)32(23)48)45(75)65-66-46(76)28(14-24-33(49)37(53)40(56)38(54)34(24)50)64-30(70)16-60-42(72)18(2)62-44(74)26(58)12-20-5-9-22(68)10-6-20/h3-10,17-18,25-28,67-68H,11-16,57-58H2,1-2H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,69)(H,64,70)(H,65,75)(H,66,76)/t17-,18-,25+,26+,27+,28+/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069562
PNG
(2-Amino-N-((S)-1-{[((R)-1-{N'-[(R)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29-,30-,37+,38+,41+,42+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069563
PNG
(Biphalin Analogue | CHEMBL2371079)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-13-19-41(65)20-14-33)49(69)57-29-47(67)61-45(27-35-11-17-37-7-3-5-9-39(37)23-35)53(73)63-64-54(74)46(28-36-12-18-38-8-4-6-10-40(38)24-36)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-15-21-42(66)22-16-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069558
PNG
(2-Amino-N-((S)-1-{[(2-{N'-[2-(2-{(S)-2-[2-amino-3-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28+,35-,36-,37-,38-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50069561
PNG
(2-Amino-N-((S)-1-{[((S)-1-{N'-[(S)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29+,30+,37-,38-,41-,42-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]-CTOP as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069558
PNG
(2-Amino-N-((S)-1-{[(2-{N'-[2-(2-{(S)-2-[2-amino-3-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28+,35-,36-,37-,38-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069559
PNG
(Biphalin Analogue | CHEMBL2371057)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-17-21-39(65)22-18-33)49(69)57-29-47(67)61-45(27-37-13-7-11-35-9-3-5-15-41(35)37)53(73)63-64-54(74)46(28-38-14-8-12-36-10-4-6-16-42(36)38)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-19-23-40(66)24-20-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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6.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069563
PNG
(Biphalin Analogue | CHEMBL2371079)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H60N10O10/c1-31(59-51(71)43(55)25-33-13-19-41(65)20-14-33)49(69)57-29-47(67)61-45(27-35-11-17-37-7-3-5-9-39(37)23-35)53(73)63-64-54(74)46(28-36-12-18-38-8-4-6-10-40(38)24-36)62-48(68)30-58-50(70)32(2)60-52(72)44(56)26-34-15-21-42(66)22-16-34/h3-24,31-32,43-46,65-66H,25-30,55-56H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,73)(H,64,74)/t31-,32-,43+,44+,45+,46+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069560
PNG
(Biphalin Analogue | CHEMBL2371080)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H46F10N10O10/c1-17(61-43(73)25(57)11-19-3-7-21(67)8-4-19)41(71)59-15-29(69)63-27(13-23-31(47)35(51)39(55)36(52)32(23)48)45(75)65-66-46(76)28(14-24-33(49)37(53)40(56)38(54)34(24)50)64-30(70)16-60-42(72)18(2)62-44(74)26(58)12-20-5-9-22(68)10-6-20/h3-10,17-18,25-28,67-68H,11-16,57-58H2,1-2H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,69)(H,64,70)(H,65,75)(H,66,76)/t17-,18-,25+,26+,27+,28+/m1/s1
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7.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069561
PNG
(2-Amino-N-((S)-1-{[((S)-1-{N'-[(S)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29+,30+,37-,38-,41-,42-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478359
PNG
(CHEMBL408871)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(53)31(46-39(55)35(42)24(2)3)19-27-13-15-30(50)16-14-27)40(56)47-32(20-29-22-43-23-44-29)41(57)49-17-9-12-33(49)38(54)45-28(21-34(51)52)18-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,54)(H,46,55)(H,47,56)(H,48,53)(H,51,52)/t25-,28-,31-,32-,33-,35-,36-/m0/s1
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20n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50415633
PNG
(CHEMBL259019)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C42H58N8O8/c1-5-26(4)37(49-39(55)33(19-28-13-15-31(51)16-14-28)47-38(54)32(22-43)25(2)3)41(57)48-34(20-30-23-44-24-45-30)42(58)50-17-9-12-35(50)40(56)46-29(21-36(52)53)18-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-35,37,51H,5,9,12,17-22,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,52,53)/t26-,29-,32-,33-,34-,35-,37-/m0/s1
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28n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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56n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478364
PNG
(CHEMBL248592)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-36(51)30(45-38(53)34(42)24(2)3)19-27-14-16-29(50)17-15-27)39(54)46-31(21-28-22-43-23-44-28)40(55)49-18-10-9-13-33(49)37(52)47-32(41(56)57)20-26-11-7-6-8-12-26/h6-8,11-12,14-17,22-25,30-35,50H,5,9-10,13,18-21,42H2,1-4H3,(H,43,44)(H,45,53)(H,46,54)(H,47,52)(H,48,51)(H,56,57)/t25-,30-,31-,32-,33+,34-,35-/m0/s1
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81n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50415634
PNG
(CHEMBL260622)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-37(52)31(18-27-13-15-29(50)16-14-27)45-36(51)30(21-42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30-,31-,32-,33-,34-,35-/m0/s1
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100n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478356
PNG
(CHEMBL408132)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-36(51)31(46-38(53)34(42)24(2)3)19-27-13-15-30(50)16-14-27)39(54)47-32(20-29-22-43-23-45-29)40(55)49-17-9-12-33(49)37(52)44-21-28(41(56)57)18-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,53)(H,47,54)(H,48,51)(H,56,57)/t25-,28-,31-,32-,33-,34-,35-/m0/s1
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110n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50069562
PNG
(2-Amino-N-((S)-1-{[((R)-1-{N'-[(R)-2-(2-{(S)-2-[2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
Show InChI InChI=1S/C48H60N10O10/c1-27(33-11-7-5-8-12-33)41(55-39(61)25-51-43(63)29(3)53-45(65)37(49)23-31-15-19-35(59)20-16-31)47(67)57-58-48(68)42(28(2)34-13-9-6-10-14-34)56-40(62)26-52-44(64)30(4)54-46(66)38(50)24-32-17-21-36(60)22-18-32/h5-22,27-30,37-38,41-42,59-60H,23-26,49-50H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)(H,57,67)(H,58,68)/t27-,28-,29-,30-,37+,38+,41+,42+/m1/s1
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110n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H]-[p-Cl-Phe]-DPDPE as radioligand


Bioorg Med Chem Lett 8: 555-60 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q17
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478366
PNG
(CHEMBL258480)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](CC(C)C)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H57N7O9/c1-5-26(4)36(48-37(51)32(19-28-13-15-31(50)16-14-28)44-22-29(41(55)56)18-25(2)3)39(53)46-33(21-30-23-43-24-45-30)40(54)49-17-9-12-35(49)38(52)47-34(42(57)58)20-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-36,44,50H,5,9,12,17-22H2,1-4H3,(H,43,45)(H,46,53)(H,47,52)(H,48,51)(H,55,56)(H,57,58)/t26-,29-,32-,33-,34-,35-,36-/m0/s1
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141n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478362
PNG
(CHEMBL261417)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(52)31(46-38(53)35(42)24(2)3)18-27-13-15-30(50)16-14-27)39(54)47-32(20-28-22-43-23-44-28)40(55)49-17-9-12-29(49)21-34(51)45-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,29,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t25-,29-,31-,32-,33-,35-,36-/m0/s1
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145n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478360
PNG
(CHEMBL261731)
Show SMILES CC[C@H](C)[C@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)30(46-37(52)31(47-39(54)36(42)24(2)3)18-27-13-15-29(50)16-14-27)21-35(51)45-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)48-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-34,36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t25-,30-,31-,32-,33-,34-,36-/m0/s1
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148n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478354
PNG
(CHEMBL261422)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](CC(C)C)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C43H59N7O9/c1-5-27(4)38(49-39(54)34(20-29-13-15-33(51)16-14-29)45-23-30(43(58)59)18-26(2)3)41(56)48-35(21-32-24-44-25-46-32)42(57)50-17-9-12-36(50)40(55)47-31(22-37(52)53)19-28-10-7-6-8-11-28/h6-8,10-11,13-16,24-27,30-31,34-36,38,45,51H,5,9,12,17-23H2,1-4H3,(H,44,46)(H,47,55)(H,48,56)(H,49,54)(H,52,53)(H,58,59)/t27-,30-,31-,34-,35-,36-,38-/m0/s1
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166n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478367
PNG
(CHEMBL259382)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-34(51)21-28(45-38(53)35(42)24(2)3)18-27-13-15-30(50)16-14-27)39(54)46-31(20-29-22-43-23-44-29)40(55)49-17-9-12-33(49)37(52)47-32(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,53)(H,46,54)(H,47,52)(H,48,51)(H,56,57)/t25-,28+,31-,32-,33-,35-,36-/m0/s1
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174n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
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177n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
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178n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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407n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]valsartan from human AT1 receptor expressed in CHO cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50415634
PNG
(CHEMBL260622)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-37(52)31(18-27-13-15-29(50)16-14-27)45-36(51)30(21-42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30-,31-,32-,33-,34-,35-/m0/s1
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550n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]valsartan from human AT1 receptor expressed in CHO cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478363
PNG
(CHEMBL403717)
Show SMILES CCC[C@@H](CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C41H55N7O9/c1-4-10-28(40(54)55)22-43-31(19-27-14-16-30(49)17-15-27)36(50)47-35(25(3)5-2)38(52)45-32(21-29-23-42-24-44-29)39(53)48-18-9-13-34(48)37(51)46-33(41(56)57)20-26-11-7-6-8-12-26/h6-8,11-12,14-17,23-25,28,31-35,43,49H,4-5,9-10,13,18-22H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)(H,47,50)(H,54,55)(H,56,57)/t25-,28-,31-,32-,33-,34-,35-/m0/s1
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631n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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831n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478365
PNG
(CHEMBL427940)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)[C@@H](N)C(C)C)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-36(51)28(18-27-13-15-30(50)16-14-27)21-44-38(53)34(42)24(2)3)39(54)46-31(20-29-22-43-23-45-29)40(55)49-17-9-12-33(49)37(52)47-32(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,45)(H,44,53)(H,46,54)(H,47,52)(H,48,51)(H,56,57)/t25-,28-,31-,32-,33-,34-,35-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478366
PNG
(CHEMBL258480)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](CC(C)C)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H57N7O9/c1-5-26(4)36(48-37(51)32(19-28-13-15-31(50)16-14-28)44-22-29(41(55)56)18-25(2)3)39(53)46-33(21-30-23-43-24-45-30)40(54)49-17-9-12-35(49)38(52)47-34(42(57)58)20-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-36,44,50H,5,9,12,17-22H2,1-4H3,(H,43,45)(H,46,53)(H,47,52)(H,48,51)(H,55,56)(H,57,58)/t26-,29-,32-,33-,34-,35-,36-/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478355
PNG
(CHEMBL258642)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CN)CCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H56N8O8/c1-3-26(2)35(49-36(52)31(20-28-13-15-30(51)16-14-28)48-41(58)42(24-43)17-7-8-18-42)38(54)46-32(22-29-23-44-25-45-29)39(55)50-19-9-12-34(50)37(53)47-33(40(56)57)21-27-10-5-4-6-11-27/h4-6,10-11,13-16,23,25-26,31-35,51H,3,7-9,12,17-22,24,43H2,1-2H3,(H,44,45)(H,46,54)(H,47,53)(H,48,58)(H,49,52)(H,56,57)/t26-,31-,32-,33-,34-,35-/m0/s1
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2.14E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478356
PNG
(CHEMBL408132)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-36(51)31(46-38(53)34(42)24(2)3)19-27-13-15-30(50)16-14-27)39(54)47-32(20-29-22-43-23-45-29)40(55)49-17-9-12-33(49)37(52)44-21-28(41(56)57)18-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,53)(H,47,54)(H,48,51)(H,56,57)/t25-,28-,31-,32-,33-,34-,35-/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478359
PNG
(CHEMBL408871)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(53)31(46-39(55)35(42)24(2)3)19-27-13-15-30(50)16-14-27)40(56)47-32(20-29-22-43-23-44-29)41(57)49-17-9-12-33(49)38(54)45-28(21-34(51)52)18-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,54)(H,46,55)(H,47,56)(H,48,53)(H,51,52)/t25-,28-,31-,32-,33-,35-,36-/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478364
PNG
(CHEMBL248592)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-36(51)30(45-38(53)34(42)24(2)3)19-27-14-16-29(50)17-15-27)39(54)46-31(21-28-22-43-23-44-28)40(55)49-18-10-9-13-33(49)37(52)47-32(41(56)57)20-26-11-7-6-8-12-26/h6-8,11-12,14-17,22-25,30-35,50H,5,9-10,13,18-21,42H2,1-4H3,(H,43,44)(H,45,53)(H,46,54)(H,47,52)(H,48,51)(H,56,57)/t25-,30-,31-,32-,33+,34-,35-/m0/s1
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2.95E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50415634
PNG
(CHEMBL260622)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-37(52)31(18-27-13-15-29(50)16-14-27)45-36(51)30(21-42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30-,31-,32-,33-,34-,35-/m0/s1
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4.46E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478367
PNG
(CHEMBL259382)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-34(51)21-28(45-38(53)35(42)24(2)3)18-27-13-15-30(50)16-14-27)39(54)46-31(20-29-22-43-23-44-29)40(55)49-17-9-12-33(49)37(52)47-32(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,53)(H,46,54)(H,47,52)(H,48,51)(H,56,57)/t25-,28+,31-,32-,33-,35-,36-/m0/s1
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4.57E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478361
PNG
(CHEMBL258452)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(52)31(18-27-13-15-29(50)16-14-27)45-35(51)21-30(42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-34,36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30-,31-,32-,33-,34-,36-/m0/s1
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5.37E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478362
PNG
(CHEMBL261417)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(52)31(46-38(53)35(42)24(2)3)18-27-13-15-30(50)16-14-27)39(54)47-32(20-28-22-43-23-44-28)40(55)49-17-9-12-29(49)21-34(51)45-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,29,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t25-,29-,31-,32-,33-,35-,36-/m0/s1
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5.37E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
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5.49E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478357
PNG
(CHEMBL428457)
Show SMILES CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-24(2)17-28(21-44-37(52)31(46-39(54)35(42)25(3)4)18-27-12-14-30(50)15-13-27)36(51)47-32(20-29-22-43-23-45-29)40(55)49-16-8-11-34(49)38(53)48-33(41(56)57)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,22-25,28,31-35,50H,8,11,16-21,42H2,1-4H3,(H,43,45)(H,44,52)(H,46,54)(H,47,51)(H,48,53)(H,56,57)/t28-,31-,32-,33-,34-,35-/m0/s1
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5.49E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50478358
PNG
(CHEMBL258494)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-37(52)31(18-27-13-15-29(50)16-14-27)45-36(51)30(21-42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
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5.75E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50415633
PNG
(CHEMBL259019)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C42H58N8O8/c1-5-26(4)37(49-39(55)33(19-28-13-15-31(51)16-14-28)47-38(54)32(22-43)25(2)3)41(57)48-34(20-30-23-44-24-45-30)42(58)50-17-9-12-35(50)40(56)46-29(21-36(52)53)18-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-35,37,51H,5,9,12,17-22,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,52,53)/t26-,29-,32-,33-,34-,35-,37-/m0/s1
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Article
PubMed
5.88E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478360
PNG
(CHEMBL261731)
Show SMILES CC[C@H](C)[C@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)30(46-37(52)31(47-39(54)36(42)24(2)3)18-27-13-15-29(50)16-14-27)21-35(51)45-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)48-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-34,36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t25-,30-,31-,32-,33-,34-,36-/m0/s1
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7.58E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478363
PNG
(CHEMBL403717)
Show SMILES CCC[C@@H](CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C41H55N7O9/c1-4-10-28(40(54)55)22-43-31(19-27-14-16-30(49)17-15-27)36(50)47-35(25(3)5-2)38(52)45-32(21-29-23-42-24-44-29)39(53)48-18-9-13-34(48)37(51)46-33(41(56)57)20-26-11-7-6-8-12-26/h6-8,11-12,14-17,23-25,28,31-35,43,49H,4-5,9-10,13,18-22H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)(H,47,50)(H,54,55)(H,56,57)/t25-,28-,31-,32-,33-,34-,35-/m0/s1
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9.33E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478365
PNG
(CHEMBL427940)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)[C@@H](N)C(C)C)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-36(51)28(18-27-13-15-30(50)16-14-27)21-44-38(53)34(42)24(2)3)39(54)46-31(20-29-22-43-23-45-29)40(55)49-17-9-12-33(49)37(52)47-32(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,45)(H,44,53)(H,46,54)(H,47,52)(H,48,51)(H,56,57)/t25-,28-,31-,32-,33-,34-,35-/m0/s1
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1.02E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478355
PNG
(CHEMBL258642)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CN)CCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H56N8O8/c1-3-26(2)35(49-36(52)31(20-28-13-15-30(51)16-14-28)48-41(58)42(24-43)17-7-8-18-42)38(54)46-32(22-29-23-44-25-45-29)39(55)50-19-9-12-34(50)37(53)47-33(40(56)57)21-27-10-5-4-6-11-27/h4-6,10-11,13-16,23,25-26,31-35,51H,3,7-9,12,17-22,24,43H2,1-2H3,(H,44,45)(H,46,54)(H,47,53)(H,48,58)(H,49,52)(H,56,57)/t26-,31-,32-,33-,34-,35-/m0/s1
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3.46E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478354
PNG
(CHEMBL261422)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](CC(C)C)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C43H59N7O9/c1-5-27(4)38(49-39(54)34(20-29-13-15-33(51)16-14-29)45-23-30(43(58)59)18-26(2)3)41(56)48-35(21-32-24-44-25-46-32)42(57)50-17-9-12-36(50)40(55)47-31(22-37(52)53)19-28-10-7-6-8-11-28/h6-8,10-11,13-16,24-27,30-31,34-36,38,45,51H,5,9,12,17-23H2,1-4H3,(H,44,46)(H,47,55)(H,48,56)(H,49,54)(H,52,53)(H,58,59)/t27-,30-,31-,34-,35-,36-,38-/m0/s1
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6.91E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478361
PNG
(CHEMBL258452)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(52)31(18-27-13-15-29(50)16-14-27)45-35(51)21-30(42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-34,36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30-,31-,32-,33-,34-,36-/m0/s1
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<9.99E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50478358
PNG
(CHEMBL258494)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)35(48-37(52)31(18-27-13-15-29(50)16-14-27)45-36(51)30(21-42)24(2)3)39(54)46-32(20-28-22-43-23-44-28)40(55)49-17-9-12-34(49)38(53)47-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
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8.70E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


J Med Chem 51: 2291-6 (2008)


Article DOI: 10.1021/jm701490g
BindingDB Entry DOI: 10.7270/Q25M68HP
More data for this
Ligand-Target Pair
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