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8 similar compounds to monomer 50224558

Compile data set for download or QSAR
Wt: 1009.3
BDBM50224552
Wt: 419.2
BDBM50224563
Wt: 553.6
BDBM50224556
Wt: 527.5
BDBM50224557
Wt: 714.7
BDBM50224559
Wt: 309.3
BDBM50224560
Wt: 384.5
BDBM50224565
Wt: 399.5
BDBM50224566

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50224552,50224563,50224556,50224557,50224559,50224560,50224565,50224566   
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
Renin


(Homo sapiens (Human))
BDBM50224559
PNG
(CHEMBL3216389)
Show SMILES Cl.Cl.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C
Show InChI InChI=1S/C33H51N7O6.2ClH/c1-19(2)13-25(37-29(41)24(34)16-23-17-35-18-36-23)30(42)38-26(14-20(3)4)31(43)40-28(21(5)6)32(44)39-27(33(45)46-7)15-22-11-9-8-10-12-22;;/h8-12,17-21,24-28H,13-16,34H2,1-7H3,(H,35,36)(H,37,41)(H,38,42)(H,39,44)(H,40,43);2*1H/t24-,25-,26-,27-,28-;;/m0../s1
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8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against hog kidney renin (Non-competitive inhibition)


J Med Chem 26: 1457-62 (1983)


Article DOI: 10.1021/jm00364a019
BindingDB Entry DOI: 10.7270/Q2KH0NX1
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50224559
PNG
(CHEMBL3216389)
Show SMILES Cl.Cl.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C
Show InChI InChI=1S/C33H51N7O6.2ClH/c1-19(2)13-25(37-29(41)24(34)16-23-17-35-18-36-23)30(42)38-26(14-20(3)4)31(43)40-28(21(5)6)32(44)39-27(33(45)46-7)15-22-11-9-8-10-12-22;;/h8-12,17-21,24-28H,13-16,34H2,1-7H3,(H,35,36)(H,37,41)(H,38,42)(H,39,44)(H,40,43);2*1H/t24-,25-,26-,27-,28-;;/m0../s1
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5.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human amniotic renin (competitive inhibition)


J Med Chem 26: 1457-62 (1983)


Article DOI: 10.1021/jm00364a019
BindingDB Entry DOI: 10.7270/Q2KH0NX1
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50224556
PNG
(CHEMBL283440)
Show SMILES CSCC[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C25H39N5O7S/c1-14(2)11-20(25(36)37)30-24(35)19(9-10-38-4)29-21(32)13-27-22(33)15(3)28-23(34)18(26)12-16-5-7-17(31)8-6-16/h5-8,14-15,18-20,31H,9-13,26H2,1-4H3,(H,27,33)(H,28,34)(H,29,32)(H,30,35)(H,36,37)/t15-,18+,19+,20+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated the ability to protect against the irreversible antagonism of morphines effects by beta-FNA in guinea pig ileal longitudinal muscle.


J Med Chem 26: 1341-3 (1983)


Article DOI: 10.1021/jm00364a001
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50224557
PNG
(CHEMBL282137 | RX-783006)
Show SMILES C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H33N5O7/c1-16(30-25(37)20(27)12-18-8-10-19(32)11-9-18)24(36)28-14-22(33)31(2)21(26(38)29-15-23(34)35)13-17-6-4-3-5-7-17/h3-11,16,20-21,32H,12-15,27H2,1-2H3,(H,28,36)(H,29,38)(H,30,37)(H,34,35)/t16-,20+,21+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated the ability to protect against the irreversible antagonism of morphines effects by beta-FNA in guinea pig ileal longitudinal muscle.


J Med Chem 26: 1341-3 (1983)


Article DOI: 10.1021/jm00364a001
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C60H84N2O11/c1-9-21-49-25-13-17-29-57(49)70-41-53(63)33-61(34-54(64)42-71-58-30-18-14-26-50(58)22-10-2)45(5)37-67-39-47(7)69-40-48(8)68-38-46(6)62(35-55(65)43-72-59-31-19-15-27-51(59)23-11-3)36-56(66)44-73-60-32-20-16-28-52(60)24-12-4/h9-20,25-32,45-48,53-56,63-66H,1-4,21-24,33-44H2,5-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50224560
PNG
(CHEMBL605654)
Show SMILES CCCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H19N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h5-7,9-10,13,19-21H,2-4H2,1H3,(H,14,15,16)/t7-,9-,10-,13?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from rat brain adenosine receptor


J Med Chem 26: 1601-6 (1983)


Article DOI: 10.1021/jm00365a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224563
PNG
(CHEMBL50951)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)CBr)C=CC4=O)ccc5O
Show InChI InChI=1S/C19H19BrN2O4/c1-22-7-6-18-15-10-2-3-11(23)16(15)26-17(18)12(24)4-5-19(18,13(22)8-10)21-14(25)9-20/h2-5,13,17,23H,6-9H2,1H3,(H,21,25)/t13?,17-,18?,19+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against opiate receptor from rat neural membranes, using [3H]dihydromorphine as radioligand


J Med Chem 26: 1775-7 (1983)


Article DOI: 10.1021/jm00366a024
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50224565
PNG
(CHEMBL60154)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H32N4O2/c27-20-17-22(8-2-3-9-22)18-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-7-1-4-10-23-19/h1,4,7,10H,2-3,5-6,8-9,11-18H2
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n/an/a 275n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224566
PNG
(CHEMBL431750)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H33N5O2/c28-19-17-22(7-2-3-8-22)18-20(29)27(19)12-5-1-4-11-25-13-15-26(16-14-25)21-23-9-6-10-24-21/h6,9-10H,1-5,7-8,11-18H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C60H84N2O11/c1-9-21-49-25-13-17-29-57(49)70-41-53(63)33-61(34-54(64)42-71-58-30-18-14-26-50(58)22-10-2)45(5)37-67-39-47(7)69-40-48(8)68-38-46(6)62(35-55(65)43-72-59-31-19-15-27-51(59)23-11-3)36-56(66)44-73-60-32-20-16-28-52(60)24-12-4/h9-20,25-32,45-48,53-56,63-66H,1-4,21-24,33-44H2,5-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224565
PNG
(CHEMBL60154)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H32N4O2/c27-20-17-22(8-2-3-9-22)18-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-7-1-4-10-23-19/h1,4,7,10H,2-3,5-6,8-9,11-18H2
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n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
More data for this
Ligand-Target Pair