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5 similar compounds to monomer 50139783

Compile data set for download or QSAR
Wt: 1066.2
BDBM50015662
Wt: 1046.1
BDBM50112097
Wt: 1046.1
BDBM50112098
Wt: 1713.8
BDBM50140088
Wt: 1068.2
BDBM50156178

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50015662,50112097,50112098,50140088,50156178   
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
Angiotensin II AT1B


(RAT)
BDBM50015662
PNG
(3-Amino-N-{1-[5-[2-[2-(1-carboxy-2-phenyl-ethylcar...)
Show SMILES N[C@@H](CC(O)=O)C(=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/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


Article DOI: 10.1021/jm011063a
BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50112098
PNG
(CHEMBL412045 | analog of Angiotensin II with cis v...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CS\C=C/CC[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/C48H63N13O12S/c49-31(23-39(63)64)40(65)55-33(11-6-17-53-48(50)51)42(67)60-37-25-74-19-5-4-10-32(56-43(68)34(57-44(37)69)20-28-13-15-30(62)16-14-28)41(66)58-35(22-29-24-52-26-54-29)46(71)61-18-7-12-38(61)45(70)59-36(47(72)73)21-27-8-2-1-3-9-27/h1-3,5,8-9,13-16,19,24,26,31-38,62H,4,6-7,10-12,17-18,20-23,25,49H2,(H,52,54)(H,55,65)(H,56,68)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,63,64)(H,72,73)(H4,50,51,53)/b19-5-/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


Article DOI: 10.1021/jm011063a
BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50112097
PNG
(CHEMBL266450 | analog of Angiotensin II with trans...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CS\C=C\CC[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/C48H63N13O12S/c49-31(23-39(63)64)40(65)55-33(11-6-17-53-48(50)51)42(67)60-37-25-74-19-5-4-10-32(56-43(68)34(57-44(37)69)20-28-13-15-30(62)16-14-28)41(66)58-35(22-29-24-52-26-54-29)46(71)61-18-7-12-38(61)45(70)59-36(47(72)73)21-27-8-2-1-3-9-27/h1-3,5,8-9,13-16,19,24,26,31-38,62H,4,6-7,10-12,17-18,20-23,25,49H2,(H,52,54)(H,55,65)(H,56,68)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,63,64)(H,72,73)(H4,50,51,53)/b19-5+/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


Article DOI: 10.1021/jm011063a
BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156178
PNG
(CHEMBL216331 | c[Hcy3,5]Ang II)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS)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/C47H65N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32(14-18-73)41(66)57-34(20-27-10-12-29(61)13-11-27)43(68)56-33(15-19-74)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61,73-74H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from pig uterus myometrium angiotensin II type 2 (AT2) receptor


J Med Chem 47: 6009-19 (2004)


Article DOI: 10.1021/jm049651m
BindingDB Entry DOI: 10.7270/Q2668DZ3
More data for this
Ligand-Target Pair
G2/mitotic-specific cyclin B1


(Rattus norvegicus)
BDBM50140088
PNG
(CHEMBL451251 | GGCCSHPACAANNQDYC#)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C65H96N22O25S4/c1-27(74-60(106)41(23-114)84-53(99)29(3)75-63(109)44-5-4-12-87(44)64(110)38(14-31-19-70-26-72-31)82-59(105)39(21-88)83-62(108)42(24-115)85-61(107)40(22-113)76-49(94)20-71-48(93)18-66)51(97)73-28(2)52(98)78-35(15-46(68)91)57(103)80-36(16-47(69)92)56(102)77-33(10-11-45(67)90)54(100)81-37(17-50(95)96)58(104)79-34(13-30-6-8-32(89)9-7-30)55(101)86-43(25-116)65(111)112/h6-9,19,26-29,33-44,88-89,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,70,72)(H,71,93)(H,73,97)(H,74,106)(H,75,109)(H,76,94)(H,77,102)(H,78,98)(H,79,104)(H,80,103)(H,81,100)(H,82,105)(H,83,108)(H,84,99)(H,85,107)(H,86,101)(H,95,96)(H,111,112)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1
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n/an/a 367n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of rat Nicotinic acetylcholine receptor alpha7 (nAChR) in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140088
PNG
(CHEMBL451251 | GGCCSHPACAANNQDYC#)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C65H96N22O25S4/c1-27(74-60(106)41(23-114)84-53(99)29(3)75-63(109)44-5-4-12-87(44)64(110)38(14-31-19-70-26-72-31)82-59(105)39(21-88)83-62(108)42(24-115)85-61(107)40(22-113)76-49(94)20-71-48(93)18-66)51(97)73-28(2)52(98)78-35(15-46(68)91)57(103)80-36(16-47(69)92)56(102)77-33(10-11-45(67)90)54(100)81-37(17-50(95)96)58(104)79-34(13-30-6-8-32(89)9-7-30)55(101)86-43(25-116)65(111)112/h6-9,19,26-29,33-44,88-89,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,70,72)(H,71,93)(H,73,97)(H,74,106)(H,75,109)(H,76,94)(H,77,102)(H,78,98)(H,79,104)(H,80,103)(H,81,100)(H,82,105)(H,83,108)(H,84,99)(H,85,107)(H,86,101)(H,95,96)(H,111,112)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair