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Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'danascimento' and Initial = 's'   
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))
BDBM50092393
PNG
(3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O15S/c1-7-9-19-38(58-48(68)40(61-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-20-15-14-18-36(34)37)51(71)62(6)43(21-10-8-2)50(70)60-41(29-45(64)65)49(69)59-39(46(54)66)26-32-16-12-11-13-17-32/h11-18,20,22-25,30,38-43,55H,7-10,19,21,26-29,31H2,1-6H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,68)(H,59,69)(H,60,70)(H,61,72)(H,64,65)(H,73,74,75)/t38-,39-,40-,41-,42-,43-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092393
PNG
(3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O15S/c1-7-9-19-38(58-48(68)40(61-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-20-15-14-18-36(34)37)51(71)62(6)43(21-10-8-2)50(70)60-41(29-45(64)65)49(69)59-39(46(54)66)26-32-16-12-11-13-17-32/h11-18,20,22-25,30,38-43,55H,7-10,19,21,26-29,31H2,1-6H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,68)(H,59,69)(H,60,70)(H,61,72)(H,64,65)(H,73,74,75)/t38-,39-,40-,41-,42-,43-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092408
PNG
(CHEMBL120150 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N6O10S/c1-3-4-14-27(32(45)38-25(17-29(41)42)31(44)37-24(30(34)43)15-20-10-6-5-7-11-20)39(2)33(46)26(36-28(40)19-50(47,48)49)16-21-18-35-23-13-9-8-12-22(21)23/h5-13,18,24-27,35H,3-4,14-17,19H2,1-2H3,(H2,34,43)(H,36,40)(H,37,44)(H,38,45)(H,41,42)(H,47,48,49)/t24-,25-,26-,27-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092398
PNG
((S)-3-((S)-2-{[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)/t26-,27-,28-,29-/m0/s1
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>0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
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>0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against CCK1 (cholecystokinin) receptor on guinea pig pancreatic membranes


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092398
PNG
((S)-3-((S)-2-{[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)/t26-,27-,28-,29-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083386
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1
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0.873n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092388
PNG
(3-(2-{[2-(3-tert-Butoxycarbonylamino-propionylamin...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H53N7O9/c1-6-7-17-31(36(52)45-29(22-33(48)49)35(51)44-28(34(40)50)20-24-13-9-8-10-14-24)46(5)37(53)30(21-25-23-42-27-16-12-11-15-26(25)27)43-32(47)18-19-41-38(54)55-39(2,3)4/h8-16,23,28-31,42H,6-7,17-22H2,1-5H3,(H2,40,50)(H,41,54)(H,43,47)(H,44,51)(H,45,52)(H,48,49)/t28-,29-,30-,31-/m0/s1
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1.35n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092387
PNG
(CHEMBL118610 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O7/c1-5-6-16-29(34(47)39-27(19-30(42)43)33(46)38-26(31(36)44)17-22-12-8-7-9-13-22)41(4)35(48)28(40-32(45)21(2)3)18-23-20-37-25-15-11-10-14-24(23)25/h7-15,20-21,26-29,37H,5-6,16-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t26-,27-,28-,29-/m0/s1
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1.37n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092399
PNG
(3-(2-{[2-(2-Benzylcarbamoyl-acetylamino)-3-(1H-ind...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C41H49N7O8/c1-3-4-19-34(40(55)47-32(22-37(51)52)39(54)46-31(38(42)53)20-26-13-7-5-8-14-26)48(2)41(56)33(21-28-25-43-30-18-12-11-17-29(28)30)45-36(50)23-35(49)44-24-27-15-9-6-10-16-27/h5-18,25,31-34,43H,3-4,19-24H2,1-2H3,(H2,42,53)(H,44,49)(H,45,50)(H,46,54)(H,47,55)(H,51,52)/t31-,32-,33-,34-/m0/s1
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1.81n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
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
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))
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 A receptor


(Cavia porcellus)
BDBM50092391
PNG
(3-(2-{[2-(2-Carbamoyl-acetylamino)-3-(1H-indol-3-y...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H43N7O8/c1-3-4-14-27(33(48)40-25(17-30(44)45)32(47)39-24(31(36)46)15-20-10-6-5-7-11-20)41(2)34(49)26(38-29(43)18-28(35)42)16-21-19-37-23-13-9-8-12-22(21)23/h5-13,19,24-27,37H,3-4,14-18H2,1-2H3,(H2,35,42)(H2,36,46)(H,38,43)(H,39,47)(H,40,48)(H,44,45)/t24-,25-,26-,27-/m0/s1
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2.05n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
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
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))
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
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
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
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092404
PNG
(CHEMBL261934 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H44N6O8/c1-4-5-15-28(33(46)39-26(18-30(42)43)32(45)38-25(31(35)44)16-21-11-7-6-8-12-21)40(2)34(47)27(37-29(41)20-48-3)17-22-19-36-24-14-10-9-13-23(22)24/h6-14,19,25-28,36H,4-5,15-18,20H2,1-3H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t25-,26-,27-,28-/m0/s1
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2.52n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092398
PNG
((S)-3-((S)-2-{[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)/t26-,27-,28-,29-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092396
PNG
(3-(2-{[2-Amino-3-(1H-indol-3-yl)-propionyl]-methyl...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H40N6O6/c1-3-4-14-26(37(2)31(43)22(32)16-20-18-34-23-13-9-8-12-21(20)23)30(42)36-25(17-27(38)39)29(41)35-24(28(33)40)15-19-10-6-5-7-11-19/h5-13,18,22,24-26,34H,3-4,14-17,32H2,1-2H3,(H2,33,40)(H,35,41)(H,36,42)(H,38,39)/t22-,24-,25-,26-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092410
PNG
(2-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H53N7O11/c1-6-7-17-31(36(53)45-28(21-33(49)50)35(52)44-27(34(41)51)18-23-13-9-8-10-14-23)47(5)37(54)29(19-24-22-42-26-16-12-11-15-25(24)26)43-32(48)20-30(38(55)56)46-39(57)58-40(2,3)4/h8-16,22,27-31,42H,6-7,17-21H2,1-5H3,(H2,41,51)(H,43,48)(H,44,52)(H,45,53)(H,46,57)(H,49,50)(H,55,56)/t27-,28-,29-,30-,31-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
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))
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
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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50092384
PNG
(CHEMBL100538 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O9/c1-3-4-14-28(34(49)40-26(19-31(45)46)33(48)39-25(32(36)47)17-21-10-6-5-7-11-21)41(2)35(50)27(38-29(42)15-16-30(43)44)18-22-20-37-24-13-9-8-12-23(22)24/h5-13,20,25-28,37H,3-4,14-19H2,1-2H3,(H2,36,47)(H,38,42)(H,39,48)(H,40,49)(H,43,44)(H,45,46)/t25-,26-,27-,28-/m0/s1
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3.02n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
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
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
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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3.30n/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 A


(Homo sapiens (Human))
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092389
PNG
(CHEMBL321456 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O9/c1-4-5-15-28(34(48)40-26(18-30(43)44)33(47)39-25(32(36)46)16-21-11-7-6-8-12-21)41(2)35(49)27(38-29(42)19-31(45)50-3)17-22-20-37-24-14-10-9-13-23(22)24/h6-14,20,25-28,37H,4-5,15-19H2,1-3H3,(H2,36,46)(H,38,42)(H,39,47)(H,40,48)(H,43,44)/t25-,26-,27-,28-/m0/s1
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3.61n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
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 A


(Homo sapiens (Human))
BDBM50083385
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12-,13-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092414
PNG
(CHEMBL120335 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O8/c1-4-5-15-29(34(48)40-27(19-31(44)45)33(47)39-26(32(36)46)17-22-11-7-6-8-12-22)41(3)35(49)28(38-30(43)16-21(2)42)18-23-20-37-25-14-10-9-13-24(23)25/h6-14,20,26-29,37H,4-5,15-19H2,1-3H3,(H2,36,46)(H,38,43)(H,39,47)(H,40,48)(H,44,45)/t26-,27-,28-,29-/m0/s1
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3.84n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
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