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144 similar compounds to monomer 50052102

Compile data set for download or QSAR
Wt: 1181.3
BDBM50022000
Wt: 3015.3
BDBM82290
Wt: 530.6
BDBM85547
Wt: 774.9
BDBM85550
Wt: 675.7
BDBM85551
Wt: 774.9
BDBM85552
Wt: 627.7
BDBM85553
Wt: 872.9
BDBM85554
Wt: 968.1
BDBM85555
Wt: 899.0
BDBM85556
Wt: 931.0
BDBM85557
Wt: 760.8
BDBM85558
Wt: 956.0
BDBM85559
Wt: 783.9
BDBM85543
Wt: 2206.5
BDBM85377
Displayed 1 to 15 (of 144 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50022000,82290,85547,85550,85551,85552,85553,85554,85555,85556,85557,85558,85559,85543,85377   
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
NPY2R


(GUINEA PIG)
BDBM85377
PNG
(NPY5-24, Ahx)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C101H160N32O24/c1-8-55(6)81(96(155)128-74(49-78(105)140)90(149)125-71(44-53(2)3)91(150)130-80(54(4)5)95(154)132-82(56(7)135)97(156)123-68(21-16-42-117-101(111)112)86(145)122-69(36-37-77(104)139)88(147)121-67(20-15-41-116-100(109)110)87(146)124-70(83(106)142)46-58-26-32-62(137)33-27-58)131-92(151)72(47-59-28-34-63(138)35-29-59)126-89(148)73(48-60-50-113-52-118-60)127-85(144)66(19-14-40-115-99(107)108)119-79(141)23-10-9-13-39-114-84(143)65(18-11-12-38-102)120-93(152)75(51-134)129-94(153)76-22-17-43-133(76)98(157)64(103)45-57-24-30-61(136)31-25-57/h24-35,50,52-56,64-76,80-82,134-138H,8-23,36-49,51,102-103H2,1-7H3,(H2,104,139)(H2,105,140)(H2,106,142)(H,113,118)(H,114,143)(H,119,141)(H,120,152)(H,121,147)(H,122,145)(H,123,156)(H,124,146)(H,125,149)(H,126,148)(H,127,144)(H,128,155)(H,129,153)(H,130,150)(H,131,151)(H,132,154)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-,82-/m0/s1
UniProtKB/SwissProt

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0.181n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
UniProtKB/SwissProt

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1.40n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

Similars

PubMed
1.48n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
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
UniProtKB/SwissProt

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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
NPY5R


(Rat 6B)
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
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
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
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
Angiotensin IV


(BOVINE)
BDBM85547
PNG
(Ang(3-6))
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)=O
Show InChI InChI=1S/C26H38N6O6/c1-5-15(4)22(25(36)31-20(26(37)38)11-17-12-28-13-29-17)32-23(34)19(30-24(35)21(27)14(2)3)10-16-6-8-18(33)9-7-16/h6-9,12-15,19-22,33H,5,10-11,27H2,1-4H3,(H,28,29)(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t15-,19-,20-,21-,22-/m0/s1
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14.4n/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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
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33.1n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
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33.1n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
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33.1n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85543
PNG
(Ang(2-7))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C37H57N11O8/c1-5-21(4)30(34(53)45-27(17-23-18-41-19-43-23)35(54)48-15-7-9-28(48)36(55)56)47-32(51)26(16-22-10-12-24(49)13-11-22)44-33(52)29(20(2)3)46-31(50)25(38)8-6-14-42-37(39)40/h10-13,18-21,25-30,49H,5-9,14-17,38H2,1-4H3,(H,41,43)(H,44,52)(H,45,53)(H,46,50)(H,47,51)(H,55,56)(H4,39,40,42)/t21-,25-,26-,27-,28-,29-,30-/m0/s1
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33.5n/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
Angiotensin IV


(BOVINE)
BDBM85557
PNG
(Ang III | CAS_12687-51-3)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)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/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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36.8n/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
PPYR1


(Homo sapiens (Human))
BDBM82290
PNG
(PYY 3-36, rat | PYY13-36, porcine)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1
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46.8n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
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 IV


(BOVINE)
BDBM85557
PNG
(Ang III | CAS_12687-51-3)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)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/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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63.2n/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 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)
BDBM85554
PNG
(Ang(1-7) D-Ala7)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/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)
BDBM85554
PNG
(Ang(1-7) D-Ala7)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/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
Angiotensin IV


(BOVINE)
BDBM85559
PNG
(Ang II Thr8, Sar1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)O)C(O)=O
Show InChI InChI=1S/C44H69N13O11/c1-7-24(4)35(41(65)53-31(19-27-20-48-22-50-27)42(66)57-17-9-11-32(57)39(63)56-36(25(5)58)43(67)68)55-38(62)30(18-26-12-14-28(59)15-13-26)52-40(64)34(23(2)3)54-37(61)29(51-33(60)21-47-6)10-8-16-49-44(45)46/h12-15,20,22-25,29-32,34-36,47,58-59H,7-11,16-19,21H2,1-6H3,(H,48,50)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,67,68)(H4,45,46,49)/t24-,25?,29-,30-,31-,32-,34-,35-,36-/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)
BDBM85559
PNG
(Ang II Thr8, Sar1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)O)C(O)=O
Show InChI InChI=1S/C44H69N13O11/c1-7-24(4)35(41(65)53-31(19-27-20-48-22-50-27)42(66)57-17-9-11-32(57)39(63)56-36(25(5)58)43(67)68)55-38(62)30(18-26-12-14-28(59)15-13-26)52-40(64)34(23(2)3)54-37(61)29(51-33(60)21-47-6)10-8-16-49-44(45)46/h12-15,20,22-25,29-32,34-36,47,58-59H,7-11,16-19,21H2,1-6H3,(H,48,50)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,67,68)(H4,45,46,49)/t24-,25?,29-,30-,31-,32-,34-,35-,36-/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)
BDBM85555
PNG
(Ang II Ile8, Sar1)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27?,31-,32-,33-,34-,36-,37-,38-/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)
BDBM85556
PNG
(Ang(1-7))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/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


(Rattus norvegicus)
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 90n/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))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 37n/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
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
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 10n/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))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 10n/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))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 100n/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


(Rattus norvegicus)
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a>1.00E+4n/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