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45 similar compounds to monomer 50015662

Wt: 1002.1
BDBM50011973
Wt: 988.1
BDBM50452851
Wt: 3256.7
BDBM50046544
Wt: 3340.7
BDBM50046545
Wt: 3256.7
BDBM50046547
Wt: 3256.7
BDBM50046540
Wt: 980.1
BDBM50048112
Wt: 1020.1
BDBM50048113
Wt: 1034.2
BDBM50048114
Wt: 2040.3
BDBM50048115
Wt: 1020.1
BDBM50048116
Wt: 1022.2
BDBM50048118
Wt: 1034.2
BDBM50048119
Wt: 1034.2
BDBM50048120
Wt: 1020.1
BDBM50048121
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50011973,50452851,50046544,50046545,50046547,50046540,50048112,50048113,50048114,50048115,50048116,50048118,50048119,50048120,50048121   
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
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50046545
PNG
(CHEMBL263848 | Tyr-Pro-Ser-Lys-Pro-Asp-c(Cys-Pro-G...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C148H227N45O40S2/c1-12-75(7)115(138(226)182-101(64-112(152)202)128(216)177-97(58-74(5)6)130(218)189-116(76(8)13-2)139(227)190-117(79(11)196)140(228)174-93(27-19-53-165-148(159)160)120(208)173-94(47-48-111(151)201)124(212)171-92(26-18-52-164-147(157)158)122(210)183-103(144(232)233)62-83-37-45-88(200)46-38-83)188-131(219)99(61-82-35-43-87(199)44-36-82)178-127(215)100(63-84-66-161-72-167-84)180-121(209)91(25-17-51-163-146(155)156)172-125(213)96(57-73(3)4)176-119(207)78(10)169-132(220)104(68-194)184-126(214)98(60-81-33-41-86(198)42-34-81)179-134(222)106-70-234-235-71-107(143(231)192-55-20-28-108(192)135(223)166-67-113(203)168-77(9)118(206)170-90(123(211)186-106)24-16-50-162-145(153)154)187-129(217)102(65-114(204)205)181-136(224)110-30-22-56-193(110)142(230)95(23-14-15-49-149)175-133(221)105(69-195)185-137(225)109-29-21-54-191(109)141(229)89(150)59-80-31-39-85(197)40-32-80/h31-46,66,72-79,89-110,115-117,194-200H,12-30,47-65,67-71,149-150H2,1-11H3,(H2,151,201)(H2,152,202)(H,161,167)(H,166,223)(H,168,203)(H,169,220)(H,170,206)(H,171,212)(H,172,213)(H,173,208)(H,174,228)(H,175,221)(H,176,207)(H,177,216)(H,178,215)(H,179,222)(H,180,209)(H,181,224)(H,182,226)(H,183,210)(H,184,214)(H,185,225)(H,186,211)(H,187,217)(H,188,219)(H,189,218)(H,190,227)(H,204,205)(H,232,233)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)(H4,159,160,165)/t75-,76-,77+,78-,79+,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108+,109-,110+,115-,116-,117-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50046544
PNG
(CHEMBL409634 | Tyr-Pro-Ser-Lys-Pro-Asp-c((D-Cys)-A...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C146H227N43O38S2/c1-11-77(7)115(137(221)179-102(67-112(150)198)128(212)174-98(61-76(5)6)130(214)186-116(78(8)12-2)138(222)187-117(80(10)192)139(223)171-94(30-23-57-164-146(157)158)121(205)170-95(50-51-111(149)197)124(208)168-93(29-22-56-163-145(155)156)123(207)180-104(142(226)227)65-84-40-48-89(196)49-41-84)185-131(215)100(64-83-38-46-88(195)47-39-83)175-127(211)101(66-85-69-159-74-165-85)177-122(206)92(28-21-55-162-144(153)154)169-125(209)97(60-75(3)4)173-118(202)79(9)166-132(216)105(70-190)181-126(210)99(63-82-36-44-87(194)45-37-82)176-134(218)108-73-229-228-72-107(119(203)160-53-19-15-13-14-16-33-113(199)167-91(120(204)184-108)27-20-54-161-143(151)152)183-129(213)103(68-114(200)201)178-135(219)110-32-25-59-189(110)141(225)96(26-17-18-52-147)172-133(217)106(71-191)182-136(220)109-31-24-58-188(109)140(224)90(148)62-81-34-42-86(193)43-35-81/h34-49,69,74-80,90-110,115-117,190-196H,11-33,50-68,70-73,147-148H2,1-10H3,(H2,149,197)(H2,150,198)(H,159,165)(H,160,203)(H,166,216)(H,167,199)(H,168,208)(H,169,209)(H,170,205)(H,171,223)(H,172,217)(H,173,202)(H,174,212)(H,175,211)(H,176,218)(H,177,206)(H,178,219)(H,179,221)(H,180,207)(H,181,210)(H,182,220)(H,183,213)(H,184,204)(H,185,215)(H,186,214)(H,187,222)(H,200,201)(H,226,227)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101+,102-,103-,104-,105-,106+,107-,108+,109+,110-,115-,116-,117-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50046540
PNG
(CHEMBL437671 | Tyr-Pro-Ser-Lys-Pro-Asp-c((D-Cys)-A...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C146H227N43O38S2/c1-11-77(7)115(137(221)179-102(67-112(150)198)128(212)174-98(61-76(5)6)130(214)186-116(78(8)12-2)138(222)187-117(80(10)192)139(223)171-94(30-23-57-164-146(157)158)121(205)170-95(50-51-111(149)197)124(208)168-93(29-22-56-163-145(155)156)123(207)180-104(142(226)227)65-84-40-48-89(196)49-41-84)185-131(215)100(64-83-38-46-88(195)47-39-83)176-127(211)101(66-85-69-159-74-165-85)177-122(206)92(28-21-55-162-144(153)154)169-125(209)97(60-75(3)4)173-118(202)79(9)166-132(216)105(70-190)181-134(218)108-73-229-228-72-107(119(203)160-53-19-15-13-14-16-33-113(199)167-91(27-20-54-161-143(151)152)120(204)175-99(126(210)184-108)63-82-36-44-87(194)45-37-82)183-129(213)103(68-114(200)201)178-135(219)110-32-25-59-189(110)141(225)96(26-17-18-52-147)172-133(217)106(71-191)182-136(220)109-31-24-58-188(109)140(224)90(148)62-81-34-42-86(193)43-35-81/h34-49,69,74-80,90-110,115-117,190-196H,11-33,50-68,70-73,147-148H2,1-10H3,(H2,149,197)(H2,150,198)(H,159,165)(H,160,203)(H,166,216)(H,167,199)(H,168,208)(H,169,209)(H,170,205)(H,171,223)(H,172,217)(H,173,202)(H,174,212)(H,175,204)(H,176,211)(H,177,206)(H,178,219)(H,179,221)(H,180,207)(H,181,218)(H,182,220)(H,183,213)(H,184,210)(H,185,215)(H,186,214)(H,187,222)(H,200,201)(H,226,227)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100-,101-,102-,103+,104-,105-,106-,107-,108+,109+,110+,115-,116-,117-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50046547
PNG
(CHEMBL440824 | Tyr-Pro-Ser-Lys-Pro-Asp-c((D-Cys)-A...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C146H227N43O38S2/c1-11-77(7)115(137(221)179-102(67-112(150)198)128(212)174-98(61-76(5)6)130(214)186-116(78(8)12-2)138(222)187-117(80(10)192)139(223)171-94(30-23-57-164-146(157)158)121(205)170-95(50-51-111(149)197)124(208)168-93(29-22-56-163-145(155)156)123(207)180-104(142(226)227)65-84-40-48-89(196)49-41-84)185-131(215)100(64-83-38-46-88(195)47-39-83)176-127(211)101(66-85-69-159-74-165-85)177-122(206)92(28-21-55-162-144(153)154)169-125(209)97(60-75(3)4)173-118(202)79(9)166-132(216)105(70-190)181-134(218)108-73-229-228-72-107(119(203)160-53-19-15-13-14-16-33-113(199)167-91(27-20-54-161-143(151)152)120(204)175-99(126(210)184-108)63-82-36-44-87(194)45-37-82)183-129(213)103(68-114(200)201)178-135(219)110-32-25-59-189(110)141(225)96(26-17-18-52-147)172-133(217)106(71-191)182-136(220)109-31-24-58-188(109)140(224)90(148)62-81-34-42-86(193)43-35-81/h34-49,69,74-80,90-110,115-117,190-196H,11-33,50-68,70-73,147-148H2,1-10H3,(H2,149,197)(H2,150,198)(H,159,165)(H,160,203)(H,166,216)(H,167,199)(H,168,208)(H,169,209)(H,170,205)(H,171,223)(H,172,217)(H,173,202)(H,174,212)(H,175,204)(H,176,211)(H,177,206)(H,178,219)(H,179,221)(H,180,207)(H,181,218)(H,182,220)(H,183,213)(H,184,210)(H,185,215)(H,186,214)(H,187,222)(H,200,201)(H,226,227)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100-,101-,102-,103+,104-,105-,106-,107-,108-,109+,110+,115-,116-,117-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50046544
PNG
(CHEMBL409634 | Tyr-Pro-Ser-Lys-Pro-Asp-c((D-Cys)-A...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C146H227N43O38S2/c1-11-77(7)115(137(221)179-102(67-112(150)198)128(212)174-98(61-76(5)6)130(214)186-116(78(8)12-2)138(222)187-117(80(10)192)139(223)171-94(30-23-57-164-146(157)158)121(205)170-95(50-51-111(149)197)124(208)168-93(29-22-56-163-145(155)156)123(207)180-104(142(226)227)65-84-40-48-89(196)49-41-84)185-131(215)100(64-83-38-46-88(195)47-39-83)175-127(211)101(66-85-69-159-74-165-85)177-122(206)92(28-21-55-162-144(153)154)169-125(209)97(60-75(3)4)173-118(202)79(9)166-132(216)105(70-190)181-126(210)99(63-82-36-44-87(194)45-37-82)176-134(218)108-73-229-228-72-107(119(203)160-53-19-15-13-14-16-33-113(199)167-91(120(204)184-108)27-20-54-161-143(151)152)183-129(213)103(68-114(200)201)178-135(219)110-32-25-59-189(110)141(225)96(26-17-18-52-147)172-133(217)106(71-191)182-136(220)109-31-24-58-188(109)140(224)90(148)62-81-34-42-86(193)43-35-81/h34-49,69,74-80,90-110,115-117,190-196H,11-33,50-68,70-73,147-148H2,1-10H3,(H2,149,197)(H2,150,198)(H,159,165)(H,160,203)(H,166,216)(H,167,199)(H,168,208)(H,169,209)(H,170,205)(H,171,223)(H,172,217)(H,173,202)(H,174,212)(H,175,211)(H,176,218)(H,177,206)(H,178,219)(H,179,221)(H,180,207)(H,181,210)(H,182,220)(H,183,213)(H,184,204)(H,185,215)(H,186,214)(H,187,222)(H,200,201)(H,226,227)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101+,102-,103-,104-,105-,106+,107-,108+,109+,110-,115-,116-,117-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50046547
PNG
(CHEMBL440824 | Tyr-Pro-Ser-Lys-Pro-Asp-c((D-Cys)-A...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C146H227N43O38S2/c1-11-77(7)115(137(221)179-102(67-112(150)198)128(212)174-98(61-76(5)6)130(214)186-116(78(8)12-2)138(222)187-117(80(10)192)139(223)171-94(30-23-57-164-146(157)158)121(205)170-95(50-51-111(149)197)124(208)168-93(29-22-56-163-145(155)156)123(207)180-104(142(226)227)65-84-40-48-89(196)49-41-84)185-131(215)100(64-83-38-46-88(195)47-39-83)176-127(211)101(66-85-69-159-74-165-85)177-122(206)92(28-21-55-162-144(153)154)169-125(209)97(60-75(3)4)173-118(202)79(9)166-132(216)105(70-190)181-134(218)108-73-229-228-72-107(119(203)160-53-19-15-13-14-16-33-113(199)167-91(27-20-54-161-143(151)152)120(204)175-99(126(210)184-108)63-82-36-44-87(194)45-37-82)183-129(213)103(68-114(200)201)178-135(219)110-32-25-59-189(110)141(225)96(26-17-18-52-147)172-133(217)106(71-191)182-136(220)109-31-24-58-188(109)140(224)90(148)62-81-34-42-86(193)43-35-81/h34-49,69,74-80,90-110,115-117,190-196H,11-33,50-68,70-73,147-148H2,1-10H3,(H2,149,197)(H2,150,198)(H,159,165)(H,160,203)(H,166,216)(H,167,199)(H,168,208)(H,169,209)(H,170,205)(H,171,223)(H,172,217)(H,173,202)(H,174,212)(H,175,204)(H,176,211)(H,177,206)(H,178,219)(H,179,221)(H,180,207)(H,181,218)(H,182,220)(H,183,213)(H,184,210)(H,185,215)(H,186,214)(H,187,222)(H,200,201)(H,226,227)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100-,101-,102-,103+,104-,105-,106-,107-,108-,109+,110+,115-,116-,117-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
22n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50046545
PNG
(CHEMBL263848 | Tyr-Pro-Ser-Lys-Pro-Asp-c(Cys-Pro-G...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C148H227N45O40S2/c1-12-75(7)115(138(226)182-101(64-112(152)202)128(216)177-97(58-74(5)6)130(218)189-116(76(8)13-2)139(227)190-117(79(11)196)140(228)174-93(27-19-53-165-148(159)160)120(208)173-94(47-48-111(151)201)124(212)171-92(26-18-52-164-147(157)158)122(210)183-103(144(232)233)62-83-37-45-88(200)46-38-83)188-131(219)99(61-82-35-43-87(199)44-36-82)178-127(215)100(63-84-66-161-72-167-84)180-121(209)91(25-17-51-163-146(155)156)172-125(213)96(57-73(3)4)176-119(207)78(10)169-132(220)104(68-194)184-126(214)98(60-81-33-41-86(198)42-34-81)179-134(222)106-70-234-235-71-107(143(231)192-55-20-28-108(192)135(223)166-67-113(203)168-77(9)118(206)170-90(123(211)186-106)24-16-50-162-145(153)154)187-129(217)102(65-114(204)205)181-136(224)110-30-22-56-193(110)142(230)95(23-14-15-49-149)175-133(221)105(69-195)185-137(225)109-29-21-54-191(109)141(229)89(150)59-80-31-39-85(197)40-32-80/h31-46,66,72-79,89-110,115-117,194-200H,12-30,47-65,67-71,149-150H2,1-11H3,(H2,151,201)(H2,152,202)(H,161,167)(H,166,223)(H,168,203)(H,169,220)(H,170,206)(H,171,212)(H,172,213)(H,173,208)(H,174,228)(H,175,221)(H,176,207)(H,177,216)(H,178,215)(H,179,222)(H,180,209)(H,181,224)(H,182,226)(H,183,210)(H,184,214)(H,185,225)(H,186,211)(H,187,217)(H,188,219)(H,189,218)(H,190,227)(H,204,205)(H,232,233)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)(H4,159,160,165)/t75-,76-,77+,78-,79+,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108+,109-,110+,115-,116-,117-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
24n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50046540
PNG
(CHEMBL437671 | Tyr-Pro-Ser-Lys-Pro-Asp-c((D-Cys)-A...)
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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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/C146H227N43O38S2/c1-11-77(7)115(137(221)179-102(67-112(150)198)128(212)174-98(61-76(5)6)130(214)186-116(78(8)12-2)138(222)187-117(80(10)192)139(223)171-94(30-23-57-164-146(157)158)121(205)170-95(50-51-111(149)197)124(208)168-93(29-22-56-163-145(155)156)123(207)180-104(142(226)227)65-84-40-48-89(196)49-41-84)185-131(215)100(64-83-38-46-88(195)47-39-83)176-127(211)101(66-85-69-159-74-165-85)177-122(206)92(28-21-55-162-144(153)154)169-125(209)97(60-75(3)4)173-118(202)79(9)166-132(216)105(70-190)181-134(218)108-73-229-228-72-107(119(203)160-53-19-15-13-14-16-33-113(199)167-91(27-20-54-161-143(151)152)120(204)175-99(126(210)184-108)63-82-36-44-87(194)45-37-82)183-129(213)103(68-114(200)201)178-135(219)110-32-25-59-189(110)141(225)96(26-17-18-52-147)172-133(217)106(71-191)182-136(220)109-31-24-58-188(109)140(224)90(148)62-81-34-42-86(193)43-35-81/h34-49,69,74-80,90-110,115-117,190-196H,11-33,50-68,70-73,147-148H2,1-10H3,(H2,149,197)(H2,150,198)(H,159,165)(H,160,203)(H,166,216)(H,167,199)(H,168,208)(H,169,209)(H,170,205)(H,171,223)(H,172,217)(H,173,202)(H,174,212)(H,175,204)(H,176,211)(H,177,206)(H,178,219)(H,179,221)(H,180,207)(H,181,218)(H,182,220)(H,183,213)(H,184,210)(H,185,215)(H,186,214)(H,187,222)(H,200,201)(H,226,227)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100-,101-,102-,103+,104-,105-,106-,107-,108+,109+,110+,115-,116-,117-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
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UniChem

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Article
PubMed
87n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048120
PNG
(CHEMBL408886 | c[Sar1-Arg2-MPc3-Tyr4-Hcy5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)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/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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UniChem

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PubMed
n/an/a 4.80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048121
PNG
(CHEMBL408773 | c[Sar1-Arg2-Mpt3-Tyr4-Cys5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)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/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)43(66)59-23-30-20-37(59)42(65)54-32(17-27-11-13-29(60)14-12-27)39(62)57-35(24-70-71-30)40(63)55-33(19-28-21-50-25-52-28)44(67)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,65)(H,55,63)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33+,34+,35+,36+,37+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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UniChem

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PubMed
n/an/a 6.10n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048118
PNG
(2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetyl...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H63N13O10S2/c1-49-25-38(61)53-31(9-5-17-51-46(47)48)39(62)54-32-15-19-70-71-20-16-33(55-42(65)34(56-40(32)63)21-28-11-13-30(60)14-12-28)41(64)57-35(23-29-24-50-26-52-29)44(67)59-18-6-10-37(59)43(66)58-36(45(68)69)22-27-7-3-2-4-8-27/h2-4,7-8,11-14,24,26,31-37,49,60H,5-6,9-10,15-23,25H2,1H3,(H,50,52)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,68,69)(H4,47,48,51)/t31-,32+,33+,34+,35-,36-,37+/m0/s1
PDB
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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 1.30n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048119
PNG
(CHEMBL385283 | c[Sar1-Arg2-Hcy3-Tyr4-MPt5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-32(9-5-16-52-47(48)49)40(63)55-33-15-18-71-72-31-22-38(60(25-31)45(68)34(56-41(33)64)19-28-11-13-30(61)14-12-28)43(66)57-35(21-29-23-51-26-53-29)44(67)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,63)(H,56,64)(H,57,66)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1
PDB
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UniChem

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PubMed
n/an/a 1.30n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048114
PNG
(CHEMBL384352 | c[Sar1-Arg2-Mpt3-Tyr4-Hcy5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)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/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 29n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048112
PNG
(2-({1-[2-{[10-[2-(2-Amino-acetylamino)-5-guanidino...)
Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H57N13O10S2/c44-19-35(58)50-28(8-4-14-48-43(45)46)36(59)54-32-21-67-68-22-33(55-37(60)29(51-38(32)61)16-25-10-12-27(57)13-11-25)39(62)52-30(18-26-20-47-23-49-26)41(64)56-15-5-9-34(56)40(63)53-31(42(65)66)17-24-6-2-1-3-7-24/h1-3,6-7,10-13,20,23,28-34,57H,4-5,8-9,14-19,21-22,44H2,(H,47,49)(H,50,58)(H,51,61)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,45,46,48)/t28-,29+,30-,31-,32+,33+,34+/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048113
PNG
(CHEMBL414533 | c[Sar1-Arg2-Cys3-Tyr4-MPt5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)39(62)57-35-24-70-71-30-20-37(59(23-30)44(67)32(54-40(35)63)17-27-11-13-29(60)14-12-27)42(65)55-33(19-28-21-50-25-52-28)43(66)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,63)(H,55,65)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33+,34+,35+,36+,37+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048121
PNG
(CHEMBL408773 | c[Sar1-Arg2-Mpt3-Tyr4-Cys5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)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/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)43(66)59-23-30-20-37(59)42(65)54-32(17-27-11-13-29(60)14-12-27)39(62)57-35(24-70-71-30)40(63)55-33(19-28-21-50-25-52-28)44(67)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,65)(H,55,63)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33+,34+,35+,36+,37+/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048120
PNG
(CHEMBL408886 | c[Sar1-Arg2-MPc3-Tyr4-Hcy5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)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/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048116
PNG
(CHEMBL413925 | c[Sar1-Arg2-MPc3-Tyr4-Cys5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)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/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)43(66)59-23-30-20-37(59)42(65)54-32(17-27-11-13-29(60)14-12-27)39(62)57-35(24-70-71-30)40(63)55-33(19-28-21-50-25-52-28)44(67)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,65)(H,55,63)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048115
PNG
(CHEMBL443325 | bis c[Sar1-Arg2-MPc3-Tyr4-Cys5-His6...)
Show SMILES CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)SS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C92H122N26O20S4/c1-97-43-75(121)105-61(17-9-29-101-91(93)94)85(131)117-45-59-39-73(117)83(129)107-63(33-53-21-25-57(119)26-22-53)77(123)113-69(79(125)109-65(37-55-41-99-49-103-55)87(133)115-31-11-19-71(115)81(127)111-67(89(135)136)35-51-13-5-3-6-14-51)47-139-140-48-70(80(126)110-66(38-56-42-100-50-104-56)88(134)116-32-12-20-72(116)82(128)112-68(90(137)138)36-52-15-7-4-8-16-52)114-78(124)64(34-54-23-27-58(120)28-24-54)108-84(130)74-40-60(142-141-59)46-118(74)86(132)62(106-76(122)44-98-2)18-10-30-102-92(95)96/h3-8,13-16,21-28,41-42,49-50,59-74,97-98,119-120H,9-12,17-20,29-40,43-48H2,1-2H3,(H,99,103)(H,100,104)(H,105,121)(H,106,122)(H,107,129)(H,108,130)(H,109,125)(H,110,126)(H,111,127)(H,112,128)(H,113,123)(H,114,124)(H,135,136)(H,137,138)(H4,93,94,101)(H4,95,96,102)/t59-,60+,61-,62+,63-,64+,65-,66+,67-,68+,69-,70+,71-,72+,73-,74+
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n/an/a 190n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048119
PNG
(CHEMBL385283 | c[Sar1-Arg2-Hcy3-Tyr4-MPt5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-32(9-5-16-52-47(48)49)40(63)55-33-15-18-71-72-31-22-38(60(25-31)45(68)34(56-41(33)64)19-28-11-13-30(61)14-12-28)43(66)57-35(21-29-23-51-26-53-29)44(67)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,63)(H,56,64)(H,57,66)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048116
PNG
(CHEMBL413925 | c[Sar1-Arg2-MPc3-Tyr4-Cys5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)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/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)43(66)59-23-30-20-37(59)42(65)54-32(17-27-11-13-29(60)14-12-27)39(62)57-35(24-70-71-30)40(63)55-33(19-28-21-50-25-52-28)44(67)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,65)(H,55,63)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50452851
PNG
(CHEMBL2373017)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C43H65N13O10S2/c1-4-24(2)35(42(65)66)55-40(63)33-8-6-16-56(33)41(64)32(20-26-21-47-23-49-26)54-38(61)30-14-18-68-67-17-13-29(37(60)53-31(39(62)52-30)19-25-9-11-27(57)12-10-25)51-36(59)28(50-34(58)22-46-3)7-5-15-48-43(44)45/h9-12,21,23-24,28-33,35,46,57H,4-8,13-20,22H2,1-3H3,(H,47,49)(H,50,58)(H,51,59)(H,52,62)(H,53,60)(H,54,61)(H,55,63)(H,65,66)(H4,44,45,48)/t24-,28-,29-,30-,31-,32-,33-,35-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Concentration required to 50% inhibition in specific binding of [125- I]A-II to Angiotensin II receptor in rat uterine membrane


J Med Chem 33: 1935-40 (1990)


Article DOI: 10.1021/jm00169a019
BindingDB Entry DOI: 10.7270/Q2R78D70
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048115
PNG
(CHEMBL443325 | bis c[Sar1-Arg2-MPc3-Tyr4-Cys5-His6...)
Show SMILES CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)SS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C92H122N26O20S4/c1-97-43-75(121)105-61(17-9-29-101-91(93)94)85(131)117-45-59-39-73(117)83(129)107-63(33-53-21-25-57(119)26-22-53)77(123)113-69(79(125)109-65(37-55-41-99-49-103-55)87(133)115-31-11-19-71(115)81(127)111-67(89(135)136)35-51-13-5-3-6-14-51)47-139-140-48-70(80(126)110-66(38-56-42-100-50-104-56)88(134)116-32-12-20-72(116)82(128)112-68(90(137)138)36-52-15-7-4-8-16-52)114-78(124)64(34-54-23-27-58(120)28-24-54)108-84(130)74-40-60(142-141-59)46-118(74)86(132)62(106-76(122)44-98-2)18-10-30-102-92(95)96/h3-8,13-16,21-28,41-42,49-50,59-74,97-98,119-120H,9-12,17-20,29-40,43-48H2,1-2H3,(H,99,103)(H,100,104)(H,105,121)(H,106,122)(H,107,129)(H,108,130)(H,109,125)(H,110,126)(H,111,127)(H,112,128)(H,113,123)(H,114,124)(H,135,136)(H,137,138)(H4,93,94,101)(H4,95,96,102)/t59-,60+,61-,62+,63-,64+,65-,66+,67-,68+,69-,70+,71-,72+,73-,74+
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n/an/a 23n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048114
PNG
(CHEMBL384352 | c[Sar1-Arg2-Mpt3-Tyr4-Hcy5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)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/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1
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n/an/a 0.470n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048113
PNG
(CHEMBL414533 | c[Sar1-Arg2-Cys3-Tyr4-MPt5-His6-Pro...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)39(62)57-35-24-70-71-30-20-37(59(23-30)44(67)32(54-40(35)63)17-27-11-13-29(60)14-12-27)42(65)55-33(19-28-21-50-25-52-28)43(66)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,63)(H,55,65)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33+,34+,35+,36+,37+/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048112
PNG
(2-({1-[2-{[10-[2-(2-Amino-acetylamino)-5-guanidino...)
Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H57N13O10S2/c44-19-35(58)50-28(8-4-14-48-43(45)46)36(59)54-32-21-67-68-22-33(55-37(60)29(51-38(32)61)16-25-10-12-27(57)13-11-25)39(62)52-30(18-26-20-47-23-49-26)41(64)56-15-5-9-34(56)40(63)53-31(42(65)66)17-24-6-2-1-3-7-24/h1-3,6-7,10-13,20,23,28-34,57H,4-5,8-9,14-19,21-22,44H2,(H,47,49)(H,50,58)(H,51,61)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,45,46,48)/t28-,29+,30-,31-,32+,33+,34+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50011973
PNG
(CHEMBL216061 | Sar-Arg-Val-Tyr-Ile-His-Pro-Phe | S...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(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](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C49H71N13O10/c1-6-29(4)41(46(69)58-36(24-32-25-53-27-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)40(28(2)3)60-42(65)34(56-39(64)26-52-5)14-10-20-54-49(50)51/h7-9,12-13,16-19,25,27-29,34-38,40-41,52,63H,6,10-11,14-15,20-24,26H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,50,51,54)/t29-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.


J Med Chem 34: 1514-7 (1991)


Article DOI: 10.1021/jm00108a043
BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50048118
PNG
(2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetyl...)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H63N13O10S2/c1-49-25-38(61)53-31(9-5-17-51-46(47)48)39(62)54-32-15-19-70-71-20-16-33(55-42(65)34(56-40(32)63)21-28-11-13-30(60)14-12-28)41(64)57-35(23-29-24-50-26-52-29)44(67)59-18-6-10-37(59)43(66)58-36(45(68)69)22-27-7-3-2-4-8-27/h2-4,7-8,11-14,24,26,31-37,49,60H,5-6,9-10,15-23,25H2,1H3,(H,50,52)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,68,69)(H4,47,48,51)/t31-,32+,33+,34+,35-,36-,37+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair