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66 similar compounds to monomer 81897

Compile data set for download or QSAR
Wt: 774.9
BDBM85550
Wt: 675.7
BDBM85551
Wt: 774.9
BDBM85552
Wt: 627.7
BDBM85553
Wt: 760.8
BDBM85558
Wt: 1169.3
BDBM50022977
Wt: 1210.4
BDBM50022518
Wt: 1169.3
BDBM50367718
Wt: 2022.1
BDBM50004743
Wt: 956.1
BDBM50009141
Wt: 956.1
BDBM50009194
Wt: 1011.2
BDBM50017487
Wt: 977.1
BDBM50022986
Wt: 1465.6
BDBM50022851
Wt: 1211.4
BDBM50022996
Displayed 1 to 15 (of 66 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 85550,85551,85552,85553,85558,50022977,50022518,50367718,50004743,50009141,50009194,50017487,50022986,50022851,50022996   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50004743
PNG
(Ac-(D)Phe-Pro-Arg.Pro.Gln.Ser-H~s.Asn-AspGly-Asp-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C92H132N24O28/c1-7-49(4)75(90(142)115-35-17-25-65(115)84(136)109-62(91(143)144)37-48(2)3)111-85(137)66-26-15-33-113(66)86(138)55(29-31-72(122)123)104-78(130)56(38-51-19-10-8-11-20-51)105-81(133)60(43-74(126)127)102-71(121)45-99-76(128)59(42-73(124)125)108-80(132)58(41-70(94)120)107-79(131)57(40-53-44-97-47-100-53)106-82(134)63(46-117)110-77(129)54(28-30-69(93)119)103-83(135)64-24-16-34-114(64)89(141)67(23-14-32-98-92(95)96)112(6)88(140)68-27-18-36-116(68)87(139)61(101-50(5)118)39-52-21-12-9-13-22-52/h8-13,19-22,44,47-49,54-68,75,117H,7,14-18,23-43,45-46H2,1-6H3,(H2,93,119)(H2,94,120)(H,97,100)(H,99,128)(H,101,118)(H,102,121)(H,103,135)(H,104,130)(H,105,133)(H,106,134)(H,107,131)(H,108,132)(H,109,136)(H,110,129)(H,111,137)(H,122,123)(H,124,125)(H,126,127)(H,143,144)(H4,95,96,98)/t49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,75-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc


J Med Chem 35: 3331-41 (1992)


Article DOI: 10.1021/jm00096a004
BindingDB Entry DOI: 10.7270/Q2FX78D9
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85558
PNG
(Ang IV Nor1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)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/C39H52N8O8/c1-3-24(2)34(46-35(50)29(43-33(49)12-7-17-40)19-26-13-15-28(48)16-14-26)37(52)44-30(21-27-22-41-23-42-27)38(53)47-18-8-11-32(47)36(51)45-31(39(54)55)20-25-9-5-4-6-10-25/h4-6,9-10,13-16,22-24,29-32,34,48H,3,7-8,11-12,17-21,40H2,1-2H3,(H,41,42)(H,43,49)(H,44,52)(H,45,51)(H,46,50)(H,54,55)/t24-,29-,30-,31-,32-,34-/m0/s1
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3.25n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
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
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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3.58n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
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
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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3.58n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
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
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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5.54n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
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
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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5.54n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
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
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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7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHOK1 cells


Bioorg Med Chem 16: 6924-35 (2008)


Article DOI: 10.1016/j.bmc.2008.05.046
BindingDB Entry DOI: 10.7270/Q2B857XC
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85558
PNG
(Ang IV Nor1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)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/C39H52N8O8/c1-3-24(2)34(46-35(50)29(43-33(49)12-7-17-40)19-26-13-15-28(48)16-14-26)37(52)44-30(21-27-22-41-23-42-27)38(53)47-18-8-11-32(47)36(51)45-31(39(54)55)20-25-9-5-4-6-10-25/h4-6,9-10,13-16,22-24,29-32,34,48H,3,7-8,11-12,17-21,40H2,1-2H3,(H,41,42)(H,43,49)(H,44,52)(H,45,51)(H,46,50)(H,54,55)/t24-,29-,30-,31-,32-,34-/m0/s1
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8.49n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85553
PNG
(Ang(3-7))
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)=O
Show InChI InChI=1S/C31H45N7O7/c1-5-18(4)26(37-27(40)22(35-28(41)25(32)17(2)3)13-19-8-10-21(39)11-9-19)29(42)36-23(14-20-15-33-16-34-20)30(43)38-12-6-7-24(38)31(44)45/h8-11,15-18,22-26,39H,5-7,12-14,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,42)(H,37,40)(H,44,45)/t18-,22-,23-,24-,25-,26-/m0/s1
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10.5n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009141
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
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
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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56.2n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
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
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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60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


Bioorg Med Chem 16: 6924-35 (2008)


Article DOI: 10.1016/j.bmc.2008.05.046
BindingDB Entry DOI: 10.7270/Q2B857XC
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
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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62.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
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
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 recombinant AT1 receptor expressed in CHO cells after 40 mins by liquid scintillation counting


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
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
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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830n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


Bioorg Med Chem 16: 6924-35 (2008)


Article DOI: 10.1016/j.bmc.2008.05.046
BindingDB Entry DOI: 10.7270/Q2B857XC
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
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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832n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
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
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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841n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human AP-N transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85551
PNG
(Ang(4-8))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)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/C35H45N7O7/c1-3-21(2)30(41-31(44)26(36)16-23-11-13-25(43)14-12-23)33(46)39-27(18-24-19-37-20-38-24)34(47)42-15-7-10-29(42)32(45)40-28(35(48)49)17-22-8-5-4-6-9-22/h4-6,8-9,11-14,19-21,26-30,43H,3,7,10,15-18,36H2,1-2H3,(H,37,38)(H,39,46)(H,40,45)(H,41,44)(H,48,49)/t21-,26-,27-,28-,29-,30-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85552
PNG
(Ang IV D-Val1)
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
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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1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50017487
PNG
(CHEMBL264354 | D-His-Pro-Phe-His-Ile-Ile-Val-Tyr-O...)
Show SMILES CC(C)C[C@H](CN[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1
Show InChI InChI=1S/C52H74N12O9/c1-30(2)19-37(27-56-40(20-31(3)4)46(66)63-45(32(5)6)50(70)62-43(52(72)73)22-34-14-16-38(65)17-15-34)59-47(67)42(24-36-26-55-29-58-36)60-48(68)41(21-33-11-8-7-9-12-33)61-49(69)44-13-10-18-64(44)51(71)39(53)23-35-25-54-28-57-35/h7-9,11-12,14-17,25-26,28-32,37,39-45,56,65H,10,13,18-24,27,53H2,1-6H3,(H,54,57)(H,55,58)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,66)(H,72,73)/t37-,39+,40-,41+,42+,43+,44+,45+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of enzyme renin


J Med Chem 32: 1378-92 (1989)


Article DOI: 10.1021/jm00126a039
BindingDB Entry DOI: 10.7270/Q20G3KQ1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009141
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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2.69E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from New Zealand white rabbits


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from mongrel dogs


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from cats


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50367718
PNG
(CHEMBL3037868)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40+,41-,42-,43-,44-,45-,46-,47?,49-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against renin from lyophilized human plasma


J Med Chem 31: 1377-82 (1988)


Article DOI: 10.1021/jm00402a022
BindingDB Entry DOI: 10.7270/Q2T43TN1
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022996
PNG
(CHEMBL412841 | acetyl-Pro-His-Pro-Phe-His-Statine-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H86N16O12/c1-6-35(4)51(57(84)71-45(25-39-29-62-32-65-39)53(80)67-41(59(86)87)16-10-11-19-60)73-50(78)27-49(77)42(22-34(2)3)68-54(81)44(24-38-28-61-31-64-38)69-52(79)43(23-37-14-8-7-9-15-37)70-56(83)48-18-13-21-75(48)58(85)46(26-40-30-63-33-66-40)72-55(82)47-17-12-20-74(47)36(5)76/h7-9,14-15,28-35,41-49,51,77H,6,10-13,16-27,60H2,1-5H3,(H,61,64)(H,62,65)(H,63,66)(H,67,80)(H,68,81)(H,69,79)(H,70,83)(H,71,84)(H,72,82)(H,73,78)(H,86,87)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49?,51-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022986
PNG
(Acetyl-Pro-Phe-His-Statine-Ile-His-Lys | CHEMBL408...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C48H72N12O10/c1-6-29(4)42(47(68)58-38(22-33-25-51-27-53-33)44(65)54-34(48(69)70)15-10-11-17-49)59-41(63)23-40(62)35(19-28(2)3)55-45(66)37(21-32-24-50-26-52-32)56-43(64)36(20-31-13-8-7-9-14-31)57-46(67)39-16-12-18-60(39)30(5)61/h7-9,13-14,24-29,34-40,42,62H,6,10-12,15-23,49H2,1-5H3,(H,50,52)(H,51,53)(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,68)(H,59,63)(H,69,70)/t29-,34-,35?,36-,37-,38-,39-,40?,42-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from Sprague-Dawley rats


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from hypertensive humans


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human plasma renin.


J Med Chem 29: 2080-7 (1986)


Article DOI: 10.1021/jm00160a048
BindingDB Entry DOI: 10.7270/Q25X29G7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Angiotensin I converting enzyme activity in rabbit


J Med Chem 28: 1553-5 (1985)


Article DOI: 10.1021/jm00149a001
BindingDB Entry DOI: 10.7270/Q23B60QP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 9.41E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Plasma renin inhibitory activity was evaluated in lyophilized human plasma with 0.1%EDTA


J Med Chem 28: 1553-5 (1985)


Article DOI: 10.1021/jm00149a001
BindingDB Entry DOI: 10.7270/Q23B60QP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022518
PNG
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu-CH2NH-Val-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 1n/an/an/an/a7.0n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of human renin at pH 7.0


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
Cathepsin D


(Bos taurus)
BDBM50022518
PNG
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu-CH2NH-Val-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 7n/an/an/an/a3.3n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.3(no inhibition)


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
Renin


(Homo sapiens (Human))
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of Human plasma renin


J Med Chem 31: 671-7 (1988)


Article DOI: 10.1021/jm00398a029
BindingDB Entry DOI: 10.7270/Q2HT2NBN
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from New Zealand white rabbits


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
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
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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n/an/a 1.53E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Angiotensin I converting enzyme from rabbit lung.


J Med Chem 29: 2080-7 (1986)


Article DOI: 10.1021/jm00160a048
BindingDB Entry DOI: 10.7270/Q25X29G7
More data for this
Ligand-Target Pair