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21 similar compounds to monomer 50060328

Compile data set for download or QSAR
Wt: 839.9
BDBM50002507
Wt: 545.6
BDBM50026297
Wt: 614.7
BDBM50046855
Wt: 588.6
BDBM50060325
Wt: 890.0
BDBM50022516
Wt: 885.0
BDBM50024169
Wt: 645.7
BDBM50289195
Wt: 650.8
BDBM50289197
Wt: 650.8
BDBM50289198
Wt: 588.6
BDBM50289199
Wt: 573.6
BDBM50289200
Wt: 573.6
BDBM50289201
Wt: 588.6
BDBM50289202
Wt: 573.6
BDBM50289203
Wt: 588.6
BDBM50289205
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50002507,50026297,50046855,50060325,50022516,50024169,50289195,50289197,50289198,50289199,50289200,50289201,50289202,50289203,50289205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(RAT)
BDBM50060325
PNG
((2S,8S,8aR)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33-/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060325
PNG
((2S,8S,8aR)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022516
PNG
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766 | CHEM...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1
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MMDB

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n/an/a 17n/an/an/an/a7.4n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of human renin at pH 6.0


J Med Chem 31: 625-9 (1988)


Article DOI: 10.1021/jm00398a022
BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289195
PNG
(CHEMBL367250 | {(2R,8S,8aR)-2-((R)-2-Amino-3-pheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](CC(O)=O)(C(=O)[C@H](N)Cc1ccccc1)C2=O
Show InChI InChI=1S/C35H43N5O7/c1-34(2,3)47-33(46)39-27(17-22-20-37-25-13-8-7-12-23(22)25)31(44)38-26-14-9-15-40-28(26)18-35(32(40)45,19-29(41)42)30(43)24(36)16-21-10-5-4-6-11-21/h4-8,10-13,20,24,26-28,37H,9,14-19,36H2,1-3H3,(H,38,44)(H,39,46)(H,41,42)/t24-,26+,27+,28-,35-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289197
PNG
((2S,8R,8aS)-8-[(R)-2-[(Adamantane-1-carbonyl)-amin...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C39H46N4O5/c1-48-37(47)39(21-24-8-3-2-4-9-24)22-33-31(12-7-13-43(33)36(39)46)41-34(44)32(17-28-23-40-30-11-6-5-10-29(28)30)42-35(45)38-18-25-14-26(19-38)16-27(15-25)20-38/h2-6,8-11,23,25-27,31-33,40H,7,12-22H2,1H3,(H,41,44)(H,42,45)/t25?,26?,27?,31-,32-,33+,38?,39+/m1/s1
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n/an/a 980n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289198
PNG
((2R,8S,8aR)-8-[(R)-2-[(Adamantane-1-carbonyl)-amin...)
Show SMILES COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C39H46N4O5/c1-48-37(47)39(21-24-8-3-2-4-9-24)22-33-31(12-7-13-43(33)36(39)46)41-34(44)32(17-28-23-40-30-11-6-5-10-29(28)30)42-35(45)38-18-25-14-26(19-38)16-27(15-25)20-38/h2-6,8-11,23,25-27,31-33,40H,7,12-22H2,1H3,(H,41,44)(H,42,45)/t25?,26?,27?,31-,32+,33+,38?,39+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289199
PNG
((2R,8R,8aS)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26+,27+,33-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289200
PNG
(CHEMBL366943 | [(S)-1-((2S,8S,8aR)-2-Benzyl-2-carb...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](Cc1ccccc1)(C(N)=O)C2=O
Show InChI InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25-,26+,32-/m0/s1
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n/an/a 3.53E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289199
PNG
((2R,8R,8aS)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26+,27+,33-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289195
PNG
(CHEMBL367250 | {(2R,8S,8aR)-2-((R)-2-Amino-3-pheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](CC(O)=O)(C(=O)[C@H](N)Cc1ccccc1)C2=O
Show InChI InChI=1S/C35H43N5O7/c1-34(2,3)47-33(46)39-27(17-22-20-37-25-13-8-7-12-23(22)25)31(44)38-26-14-9-15-40-28(26)18-35(32(40)45,19-29(41)42)30(43)24(36)16-21-10-5-4-6-11-21/h4-8,10-13,20,24,26-28,37H,9,14-19,36H2,1-3H3,(H,38,44)(H,39,46)(H,41,42)/t24-,26+,27+,28-,35-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289201
PNG
(CHEMBL427492 | [(R)-1-((2S,8S,8aR)-2-Benzyl-2-carb...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](Cc1ccccc1)(C(N)=O)C2=O
Show InChI InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25+,26+,32-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289202
PNG
((2S,8S,8aR)-2-Benzyl-8-[(R)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26+,27+,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060325
PNG
((2S,8S,8aR)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33-/m0/s1
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n/an/a 2.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289203
PNG
(CHEMBL368380 | [(S)-1-((2R,8S,8aR)-2-Benzyl-2-carb...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@](Cc1ccccc1)(C(N)=O)C2=O
Show InChI InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25-,26+,32+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060325
PNG
((2S,8S,8aR)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289205
PNG
((2S,8R,8aS)-2-Benzyl-8-[(R)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289205
PNG
((2S,8R,8aS)-2-Benzyl-8-[(R)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289200
PNG
(CHEMBL366943 | [(S)-1-((2S,8S,8aR)-2-Benzyl-2-carb...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](Cc1ccccc1)(C(N)=O)C2=O
Show InChI InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25-,26+,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289203
PNG
(CHEMBL368380 | [(S)-1-((2R,8S,8aR)-2-Benzyl-2-carb...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@](Cc1ccccc1)(C(N)=O)C2=O
Show InChI InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25-,26+,32+/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289197
PNG
((2S,8R,8aS)-8-[(R)-2-[(Adamantane-1-carbonyl)-amin...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C39H46N4O5/c1-48-37(47)39(21-24-8-3-2-4-9-24)22-33-31(12-7-13-43(33)36(39)46)41-34(44)32(17-28-23-40-30-11-6-5-10-29(28)30)42-35(45)38-18-25-14-26(19-38)16-27(15-25)20-38/h2-6,8-11,23,25-27,31-33,40H,7,12-22H2,1H3,(H,41,44)(H,42,45)/t25?,26?,27?,31-,32-,33+,38?,39+/m1/s1
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n/an/a 2.19E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289202
PNG
((2S,8S,8aR)-2-Benzyl-8-[(R)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26+,27+,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50289201
PNG
(CHEMBL427492 | [(R)-1-((2S,8S,8aR)-2-Benzyl-2-carb...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](Cc1ccccc1)(C(N)=O)C2=O
Show InChI InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25+,26+,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50289198
PNG
((2R,8S,8aR)-8-[(R)-2-[(Adamantane-1-carbonyl)-amin...)
Show SMILES COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C39H46N4O5/c1-48-37(47)39(21-24-8-3-2-4-9-24)22-33-31(12-7-13-43(33)36(39)46)41-34(44)32(17-28-23-40-30-11-6-5-10-29(28)30)42-35(45)38-18-25-14-26(19-38)16-27(15-25)20-38/h2-6,8-11,23,25-27,31-33,40H,7,12-22H2,1H3,(H,41,44)(H,42,45)/t25?,26?,27?,31-,32+,33+,38?,39+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022516
PNG
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766 | CHEM...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin activity


J Med Chem 29: 1152-9 (1987)


Article DOI: 10.1021/jm00157a006
BindingDB Entry DOI: 10.7270/Q2VH5PD3
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022516
PNG
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766 | CHEM...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat plasma renin activity


J Med Chem 29: 1152-9 (1987)


Article DOI: 10.1021/jm00157a006
BindingDB Entry DOI: 10.7270/Q2VH5PD3
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026297
PNG
(4-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C27H39N5O7/c1-15(2)12-20(24(36)30-19(23(28)35)10-11-22(33)34)31-25(37)21(32-26(38)39-27(3,4)5)13-16-14-29-18-9-7-6-8-17(16)18/h6-9,14-15,19-21,29H,10-13H2,1-5H3,(H2,28,35)(H,30,36)(H,31,37)(H,32,38)(H,33,34)/t19-,20-,21-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


Article DOI: 10.1021/jm00381a002
BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50046855
PNG
(4-[2-(2-tert-Butoxycarbonylamino-3-cyclohexyl-prop...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(O)=O
Show InChI InChI=1S/C33H50N4O7/c1-6-20(2)29(37-30(41)26(16-21-12-8-7-9-13-21)36-32(43)44-33(3,4)5)31(42)35-25(27(38)18-28(39)40)17-22-19-34-24-15-11-10-14-23(22)24/h10-11,14-15,19-21,25-27,29,34,38H,6-9,12-13,16-18H2,1-5H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)/t20?,25-,26-,27?,29-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D.


J Med Chem 36: 468-78 (1993)


Article DOI: 10.1021/jm00056a007
BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50046855
PNG
(4-[2-(2-tert-Butoxycarbonylamino-3-cyclohexyl-prop...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(O)=O
Show InChI InChI=1S/C33H50N4O7/c1-6-20(2)29(37-30(41)26(16-21-12-8-7-9-13-21)36-32(43)44-33(3,4)5)31(42)35-25(27(38)18-28(39)40)17-22-19-34-24-15-11-10-14-23(22)24/h10-11,14-15,19-21,25-27,29,34,38H,6-9,12-13,16-18H2,1-5H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)/t20?,25-,26-,27?,29-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.


J Med Chem 36: 468-78 (1993)


Article DOI: 10.1021/jm00056a007
BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002507
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H57N7O9/c1-45(2,3)61-44(60)52-36(26-31-28-48-33-21-11-10-20-32(31)33)42(58)49-34(22-12-13-24-47-38(53)23-14-19-29-15-6-4-7-16-29)41(57)51-37(27-39(54)55)43(59)50-35(40(46)56)25-30-17-8-5-9-18-30/h4-11,15-18,20-21,28,34-37,48H,12-14,19,22-27H2,1-3H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35-,36-,37-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022516
PNG
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766 | CHEM...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1
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n/an/a 151n/an/an/an/an/an/a



SANOFI Recherche

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 30: 2287-91 (1988)


Article DOI: 10.1021/jm00395a018
BindingDB Entry DOI: 10.7270/Q2D50P7G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50024169
PNG
(4-(2-{4-[2-(2-Benzyloxycarbonylamino-3-phenyl-prop...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C48H64N6O10/c1-29(2)21-37(41(55)25-43(57)50-31(5)45(59)51-38(22-30(3)4)42(56)26-44(58)63-6)52-47(61)40(24-34-27-49-36-20-14-13-19-35(34)36)53-46(60)39(23-32-15-9-7-10-16-32)54-48(62)64-28-33-17-11-8-12-18-33/h7-20,27,29-31,37-42,49,55-56H,21-26,28H2,1-6H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,62)
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n/an/a 1.41E+3n/an/an/an/an/an/a



SANOFI Recherche

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 30: 2287-91 (1988)


Article DOI: 10.1021/jm00395a018
BindingDB Entry DOI: 10.7270/Q2D50P7G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50024169
PNG
(4-(2-{4-[2-(2-Benzyloxycarbonylamino-3-phenyl-prop...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C48H64N6O10/c1-29(2)21-37(41(55)25-43(57)50-31(5)45(59)51-38(22-30(3)4)42(56)26-44(58)63-6)52-47(61)40(24-34-27-49-36-20-14-13-19-35(34)36)53-46(60)39(23-32-15-9-7-10-16-32)54-48(62)64-28-33-17-11-8-12-18-33/h7-20,27,29-31,37-42,49,55-56H,21-26,28H2,1-6H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,62)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 29: 1152-9 (1987)


Article DOI: 10.1021/jm00157a006
BindingDB Entry DOI: 10.7270/Q2VH5PD3
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022516
PNG
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766 | CHEM...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against man plasma renin


J Med Chem 29: 1152-9 (1987)


Article DOI: 10.1021/jm00157a006
BindingDB Entry DOI: 10.7270/Q2VH5PD3
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022516
PNG
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766 | CHEM...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin activity


J Med Chem 29: 1152-9 (1987)


Article DOI: 10.1021/jm00157a006
BindingDB Entry DOI: 10.7270/Q2VH5PD3
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002507
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H57N7O9/c1-45(2,3)61-44(60)52-36(26-31-28-48-33-21-11-10-20-32(31)33)42(58)49-34(22-12-13-24-47-38(53)23-14-19-29-15-6-4-7-16-29)41(57)51-37(27-39(54)55)43(59)50-35(40(46)56)25-30-17-8-5-9-18-30/h4-11,15-18,20-21,28,34-37,48H,12-14,19,22-27H2,1-3H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35-,36-,37-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022516
PNG
(Boc-Trp-Trp-Sta-Ala-Sta-OMe | CHEMBL3142766 | CHEM...)
Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35?,36?,37-,38-,39?,40?/m0/s1
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n/an/a 120n/an/an/an/a2.0n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin at pH 2.0


J Med Chem 31: 625-9 (1988)


Article DOI: 10.1021/jm00398a022
BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair