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45 similar compounds to monomer 50112319

Compile data set for download or QSAR
Wt: 1396.6
BDBM50001698
Wt: 1384.6
BDBM50001695
Wt: 1410.6
BDBM50001725
Wt: 1398.6
BDBM50001699
Wt: 1364.6
BDBM50001711
Wt: 1350.6
BDBM50001731
Wt: 980.1
BDBM50048112
Wt: 1020.1
BDBM50048113
Wt: 2040.3
BDBM50048115
Wt: 1020.1
BDBM50048116
Wt: 1020.1
BDBM50048121
Wt: 2040.3
BDBM50048122
Wt: 1020.1
BDBM50048124
Wt: 994.1
BDBM50048125
Wt: 1988.3
BDBM50048132
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50001698,50001695,50001725,50001699,50001711,50001731,50048112,50048113,50048115,50048116,50048121,50048122,50048124,50048125,50048132   
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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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PubMed
270n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001698
PNG
(CHEMBL3238083)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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PubMed
794n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001698
PNG
(CHEMBL3238083)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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PubMed
n/an/a 298n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001699
PNG
(CHEMBL3238069)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C60H83N15O16S4/c1-4-7-14-38-51(81)68-40(22-33-16-18-35(77)19-17-33)53(83)74-46(60(90)91)30-95-94-29-45-57(87)71-42(26-76)54(84)70-41(23-34-25-62-31-63-34)59(89)75-20-11-15-47(75)58(88)66-37(6-3)50(80)72-44(28-93-92-27-43(55(85)73-45)64-48(78)24-61)56(86)69-39(21-32-12-9-8-10-13-32)52(82)65-36(5-2)49(79)67-38/h8-10,12-13,16-19,25,31,36-47,76-77H,4-7,11,14-15,20-24,26-30,61H2,1-3H3,(H,62,63)(H,64,78)(H,65,82)(H,66,88)(H,67,79)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,80)(H,73,85)(H,74,83)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 307n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001711
PNG
(CHEMBL3238073)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C57H85N15O16S4/c1-6-10-12-35-48(78)65-36(19-30-14-16-32(74)17-15-30)49(79)70-42(57(87)88)27-92-91-25-40-52(82)67-38(23-73)50(80)66-37(20-31-22-59-28-60-31)56(86)72-18-11-13-43(72)54(84)62-33(8-3)47(77)68-41(26-90-89-24-39(51(81)69-40)61-44(75)21-58)53(83)71-45(29(5)7-2)55(85)63-34(9-4)46(76)64-35/h14-17,22,28-29,33-43,45,73-74H,6-13,18-21,23-27,58H2,1-5H3,(H,59,60)(H,61,75)(H,62,84)(H,63,85)(H,64,76)(H,65,78)(H,66,80)(H,67,82)(H,68,77)(H,69,81)(H,70,79)(H,71,83)(H,87,88)/t29-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,45+/m1/s1
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PubMed
n/an/a 463n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001725
PNG
(CHEMBL3238067)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C61H83N15O16S4/c1-3-5-13-38-51(81)68-40(23-34-16-18-36(78)19-17-34)53(83)74-46(61(91)92)31-96-95-29-44-57(87)71-42(27-77)54(84)70-41(24-35-26-63-32-64-35)59(89)76-21-10-15-48(76)60(90)75-20-9-14-47(75)58(88)73-45(30-94-93-28-43(55(85)72-44)65-49(79)25-62)56(86)69-39(22-33-11-7-6-8-12-33)52(82)66-37(4-2)50(80)67-38/h6-8,11-12,16-19,26,32,37-48,77-78H,3-5,9-10,13-15,20-25,27-31,62H2,1-2H3,(H,63,64)(H,65,79)(H,66,82)(H,67,80)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,85)(H,73,88)(H,74,83)(H,91,92)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 469n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001731
PNG
(CHEMBL3238089)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C56H83N15O16S4/c1-6-11-34-47(77)64-35(18-29-13-15-31(73)16-14-29)48(78)69-41(56(86)87)26-91-90-24-39-51(81)66-37(22-72)49(79)65-36(19-30-21-58-27-59-30)55(85)71-17-10-12-42(71)53(83)61-32(8-3)46(76)67-40(25-89-88-23-38(50(80)68-39)60-43(74)20-57)52(82)70-44(28(5)7-2)54(84)62-33(9-4)45(75)63-34/h13-16,21,27-28,32-42,44,72-73H,6-12,17-20,22-26,57H2,1-5H3,(H,58,59)(H,60,74)(H,61,83)(H,62,84)(H,63,75)(H,64,77)(H,65,79)(H,66,81)(H,67,76)(H,68,80)(H,69,78)(H,70,82)(H,86,87)/t28-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001725
PNG
(CHEMBL3238067)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C61H83N15O16S4/c1-3-5-13-38-51(81)68-40(23-34-16-18-36(78)19-17-34)53(83)74-46(61(91)92)31-96-95-29-44-57(87)71-42(27-77)54(84)70-41(24-35-26-63-32-64-35)59(89)76-21-10-15-48(76)60(90)75-20-9-14-47(75)58(88)73-45(30-94-93-28-43(55(85)72-44)65-49(79)25-62)56(86)69-39(22-33-11-7-6-8-12-33)52(82)66-37(4-2)50(80)67-38/h6-8,11-12,16-19,26,32,37-48,77-78H,3-5,9-10,13-15,20-25,27-31,62H2,1-2H3,(H,63,64)(H,65,79)(H,66,82)(H,67,80)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,85)(H,73,88)(H,74,83)(H,91,92)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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KEGG

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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001699
PNG
(CHEMBL3238069)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C60H83N15O16S4/c1-4-7-14-38-51(81)68-40(22-33-16-18-35(77)19-17-33)53(83)74-46(60(90)91)30-95-94-29-45-57(87)71-42(26-76)54(84)70-41(23-34-25-62-31-63-34)59(89)75-20-11-15-47(75)58(88)66-37(6-3)50(80)72-44(28-93-92-27-43(55(85)73-45)64-48(78)24-61)56(86)69-39(21-32-12-9-8-10-13-32)52(82)65-36(5-2)49(79)67-38/h8-10,12-13,16-19,25,31,36-47,76-77H,4-7,11,14-15,20-24,26-30,61H2,1-3H3,(H,62,63)(H,64,78)(H,65,82)(H,66,88)(H,67,79)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,80)(H,73,85)(H,74,83)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
PDB

KEGG

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001711
PNG
(CHEMBL3238073)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C57H85N15O16S4/c1-6-10-12-35-48(78)65-36(19-30-14-16-32(74)17-15-30)49(79)70-42(57(87)88)27-92-91-25-40-52(82)67-38(23-73)50(80)66-37(20-31-22-59-28-60-31)56(86)72-18-11-13-43(72)54(84)62-33(8-3)47(77)68-41(26-90-89-24-39(51(81)69-40)61-44(75)21-58)53(83)71-45(29(5)7-2)55(85)63-34(9-4)46(76)64-35/h14-17,22,28-29,33-43,45,73-74H,6-13,18-21,23-27,58H2,1-5H3,(H,59,60)(H,61,75)(H,62,84)(H,63,85)(H,64,76)(H,65,78)(H,66,80)(H,67,82)(H,68,77)(H,69,81)(H,70,79)(H,71,83)(H,87,88)/t29-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,45+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001698
PNG
(CHEMBL3238083)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001731
PNG
(CHEMBL3238089)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C56H83N15O16S4/c1-6-11-34-47(77)64-35(18-29-13-15-31(73)16-14-29)48(78)69-41(56(86)87)26-91-90-24-39-51(81)66-37(22-72)49(79)65-36(19-30-21-58-27-59-30)55(85)71-17-10-12-42(71)53(83)61-32(8-3)46(76)67-40(25-89-88-23-38(50(80)68-39)60-43(74)20-57)52(82)70-44(28(5)7-2)54(84)62-33(9-4)45(75)63-34/h13-16,21,27-28,32-42,44,72-73H,6-12,17-20,22-26,57H2,1-5H3,(H,58,59)(H,60,74)(H,61,83)(H,62,84)(H,63,75)(H,64,77)(H,65,79)(H,66,81)(H,67,76)(H,68,80)(H,69,78)(H,70,82)(H,86,87)/t28-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001725
PNG
(CHEMBL3238067)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C61H83N15O16S4/c1-3-5-13-38-51(81)68-40(23-34-16-18-36(78)19-17-34)53(83)74-46(61(91)92)31-96-95-29-44-57(87)71-42(27-77)54(84)70-41(24-35-26-63-32-64-35)59(89)76-21-10-15-48(76)60(90)75-20-9-14-47(75)58(88)73-45(30-94-93-28-43(55(85)72-44)65-49(79)25-62)56(86)69-39(22-33-11-7-6-8-12-33)52(82)66-37(4-2)50(80)67-38/h6-8,11-12,16-19,26,32,37-48,77-78H,3-5,9-10,13-15,20-25,27-31,62H2,1-2H3,(H,63,64)(H,65,79)(H,66,82)(H,67,80)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,85)(H,73,88)(H,74,83)(H,91,92)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001699
PNG
(CHEMBL3238069)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C60H83N15O16S4/c1-4-7-14-38-51(81)68-40(22-33-16-18-35(77)19-17-33)53(83)74-46(60(90)91)30-95-94-29-45-57(87)71-42(26-76)54(84)70-41(23-34-25-62-31-63-34)59(89)75-20-11-15-47(75)58(88)66-37(6-3)50(80)72-44(28-93-92-27-43(55(85)73-45)64-48(78)24-61)56(86)69-39(21-32-12-9-8-10-13-32)52(82)65-36(5-2)49(79)67-38/h8-10,12-13,16-19,25,31,36-47,76-77H,4-7,11,14-15,20-24,26-30,61H2,1-3H3,(H,62,63)(H,64,78)(H,65,82)(H,66,88)(H,67,79)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,80)(H,73,85)(H,74,83)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001711
PNG
(CHEMBL3238073)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C57H85N15O16S4/c1-6-10-12-35-48(78)65-36(19-30-14-16-32(74)17-15-30)49(79)70-42(57(87)88)27-92-91-25-40-52(82)67-38(23-73)50(80)66-37(20-31-22-59-28-60-31)56(86)72-18-11-13-43(72)54(84)62-33(8-3)47(77)68-41(26-90-89-24-39(51(81)69-40)61-44(75)21-58)53(83)71-45(29(5)7-2)55(85)63-34(9-4)46(76)64-35/h14-17,22,28-29,33-43,45,73-74H,6-13,18-21,23-27,58H2,1-5H3,(H,59,60)(H,61,75)(H,62,84)(H,63,85)(H,64,76)(H,65,78)(H,66,80)(H,67,82)(H,68,77)(H,69,81)(H,70,79)(H,71,83)(H,87,88)/t29-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,45+/m1/s1
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Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001698
PNG
(CHEMBL3238083)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001731
PNG
(CHEMBL3238089)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C56H83N15O16S4/c1-6-11-34-47(77)64-35(18-29-13-15-31(73)16-14-29)48(78)69-41(56(86)87)26-91-90-24-39-51(81)66-37(22-72)49(79)65-36(19-30-21-58-27-59-30)55(85)71-17-10-12-42(71)53(83)61-32(8-3)46(76)67-40(25-89-88-23-38(50(80)68-39)60-43(74)20-57)52(82)70-44(28(5)7-2)54(84)62-33(9-4)45(75)63-34/h13-16,21,27-28,32-42,44,72-73H,6-12,17-20,22-26,57H2,1-5H3,(H,58,59)(H,60,74)(H,61,83)(H,62,84)(H,63,75)(H,64,77)(H,65,79)(H,66,81)(H,67,76)(H,68,80)(H,69,78)(H,70,82)(H,86,87)/t28-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1
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Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (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 receptor


(Homo sapiens (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


(Homo sapiens (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


(Homo sapiens (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


(Homo sapiens (Human))
BDBM50048122
PNG
(CHEMBL411657 | 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](CSS[C@H]1C[C@H](N(C1)C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(=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)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)113-70(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)48-140-142-60-40-74(118(46-60)86(132)62(106-76(122)44-98-2)18-10-30-102-92(95)96)84(130)108-64(34-54-23-27-58(120)28-24-54)78(124)114-69(47-139-141-59)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/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-/m0/s1
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n/an/a 25n/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


(Homo sapiens (Human))
BDBM50048124
PNG
(CHEMBL384125 | c[Sar1-Arg2-Cys3-Tyr4-MPc5-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-/m0/s1
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n/an/a 7.40n/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


(Homo sapiens (Human))
BDBM50048125
PNG
(2-({1-[2-{[11-[2-(2-Amino-acetylamino)-5-guanidino...)
Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSCC[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/C44H59N13O10S2/c45-21-36(59)51-29(8-4-15-49-44(46)47)37(60)56-34-23-69-68-17-14-30(52-39(62)31(53-40(34)63)18-26-10-12-28(58)13-11-26)38(61)54-32(20-27-22-48-24-50-27)42(65)57-16-5-9-35(57)41(64)55-33(43(66)67)19-25-6-2-1-3-7-25/h1-3,6-7,10-13,22,24,29-35,58H,4-5,8-9,14-21,23,45H2,(H,48,50)(H,51,59)(H,52,62)(H,53,63)(H,54,61)(H,55,64)(H,56,60)(H,66,67)(H4,46,47,49)/t29-,30+,31+,32-,33-,34+,35+/m0/s1
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n/an/a 28n/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


(Homo sapiens (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
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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


(Homo sapiens (Human))
BDBM50048132
PNG
(CHEMBL440063 | bis-c[Sar1-Arg2-Cys3-Tyr4-Cys5-His6...)
Show SMILES CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[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)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC)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/C88H118N26O20S4/c1-93-41-71(117)101-57(17-9-29-97-87(89)90)73(119)109-65-43-135-137-45-67(79(125)105-61(37-53-39-95-47-99-53)83(129)113-31-11-19-69(113)81(127)107-63(85(131)132)35-49-13-5-3-6-14-49)112-76(122)60(34-52-23-27-56(116)28-24-52)104-78(124)66(110-74(120)58(102-72(118)42-94-2)18-10-30-98-88(91)92)44-136-138-46-68(111-75(121)59(103-77(65)123)33-51-21-25-55(115)26-22-51)80(126)106-62(38-54-40-96-48-100-54)84(130)114-32-12-20-70(114)82(128)108-64(86(133)134)36-50-15-7-4-8-16-50/h3-8,13-16,21-28,39-40,47-48,57-70,93-94,115-116H,9-12,17-20,29-38,41-46H2,1-2H3,(H,95,99)(H,96,100)(H,101,117)(H,102,118)(H,103,123)(H,104,124)(H,105,125)(H,106,126)(H,107,127)(H,108,128)(H,109,119)(H,110,120)(H,111,121)(H,112,122)(H,131,132)(H,133,134)(H4,89,90,97)(H4,91,92,98)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m1/s1
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n/an/a 65n/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)
BDBM50048122
PNG
(CHEMBL411657 | 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](CSS[C@H]1C[C@H](N(C1)C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(=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)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)113-70(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)48-140-142-60-40-74(118(46-60)86(132)62(106-76(122)44-98-2)18-10-30-102-92(95)96)84(130)108-64(34-54-23-27-58(120)28-24-54)78(124)114-69(47-139-141-59)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/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-/m0/s1
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n/an/a 110n/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)
BDBM50048125
PNG
(2-({1-[2-{[11-[2-(2-Amino-acetylamino)-5-guanidino...)
Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSCC[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/C44H59N13O10S2/c45-21-36(59)51-29(8-4-15-49-44(46)47)37(60)56-34-23-69-68-17-14-30(52-39(62)31(53-40(34)63)18-26-10-12-28(58)13-11-26)38(61)54-32(20-27-22-48-24-50-27)42(65)57-16-5-9-35(57)41(64)55-33(43(66)67)19-25-6-2-1-3-7-25/h1-3,6-7,10-13,22,24,29-35,58H,4-5,8-9,14-21,23,45H2,(H,48,50)(H,51,59)(H,52,62)(H,53,63)(H,54,61)(H,55,64)(H,56,60)(H,66,67)(H4,46,47,49)/t29-,30+,31+,32-,33-,34+,35+/m0/s1
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n/an/a 2.60n/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)
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)
BDBM50048132
PNG
(CHEMBL440063 | bis-c[Sar1-Arg2-Cys3-Tyr4-Cys5-His6...)
Show SMILES CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[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)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC)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/C88H118N26O20S4/c1-93-41-71(117)101-57(17-9-29-97-87(89)90)73(119)109-65-43-135-137-45-67(79(125)105-61(37-53-39-95-47-99-53)83(129)113-31-11-19-69(113)81(127)107-63(85(131)132)35-49-13-5-3-6-14-49)112-76(122)60(34-52-23-27-56(116)28-24-52)104-78(124)66(110-74(120)58(102-72(118)42-94-2)18-10-30-98-88(91)92)44-136-138-46-68(111-75(121)59(103-77(65)123)33-51-21-25-55(115)26-22-51)80(126)106-62(38-54-40-96-48-100-54)84(130)114-32-12-20-70(114)82(128)108-64(86(133)134)36-50-15-7-4-8-16-50/h3-8,13-16,21-28,39-40,47-48,57-70,93-94,115-116H,9-12,17-20,29-38,41-46H2,1-2H3,(H,95,99)(H,96,100)(H,101,117)(H,102,118)(H,103,123)(H,104,124)(H,105,125)(H,106,126)(H,107,127)(H,108,128)(H,109,119)(H,110,120)(H,111,121)(H,112,122)(H,131,132)(H,133,134)(H4,89,90,97)(H4,91,92,98)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m1/s1
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n/an/a 28n/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)
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)
BDBM50048124
PNG
(CHEMBL384125 | c[Sar1-Arg2-Cys3-Tyr4-MPc5-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-/m0/s1
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n/an/a 62n/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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-evoked current by voltag...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a 183n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair