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13 similar compounds to monomer 50229066

Compile data set for download or QSAR
Wt: 411.4
BDBM50229019
Wt: 387.3
BDBM50229040
Wt: 296.2
BDBM50229042
Wt: 379.4
BDBM50229041
Wt: 499.5
BDBM50229011
Wt: 411.4
BDBM50229012
Wt: 555.6
BDBM50229013
Wt: 487.5
BDBM50229014
Wt: 496.5
BDBM50229017
Wt: 389.4
BDBM50229018
Wt: 309.3
BDBM50229064
Wt: 267.2
BDBM50229043
Wt: 311.3
BDBM50229065

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50229019,50229040,50229042,50229041,50229011,50229012,50229013,50229014,50229017,50229018,50229064,50229043,50229065   
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
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50229043
PNG
(CHEMBL2051969)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7+,10-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229019
PNG
(CHEMBL112810)
Show SMILES OC(=O)C1Cc2c(CN1C(=O)c1cccc3ccccc13)ncn2Cc1ccccc1
Show InChI InChI=1S/C25H21N3O3/c29-24(20-12-6-10-18-9-4-5-11-19(18)20)28-15-21-22(13-23(28)25(30)31)27(16-26-21)14-17-7-2-1-3-8-17/h1-12,16,23H,13-15H2,(H,30,31)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229040
PNG
(CHEMBL156140)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H17N3O4/c1-29-21(27)16-9-5-10-17(13-16)25-19-18(11-6-12-23-19)20(26)24(22(25)28)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from rat brain cortex


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229041
PNG
(CHEMBL351567)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CCCC2)c1=O
Show InChI InChI=1S/C21H21N3O4/c1-28-20(26)15-8-4-9-16(12-15)24-18-17(10-5-11-22-18)19(25)23(21(24)27)13-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7,13H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from rat brain cortex


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229042
PNG
(CHEMBL157181)
Show SMILES COC(=O)c1cccc(c1)-n1c2ccccc2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H12N2O4/c1-22-15(20)10-5-4-6-11(9-10)18-13-8-3-2-7-12(13)14(19)17-16(18)21/h2-9H,1H3,(H,17,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from rat brain cortex


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229064
PNG
(CHEMBL159839)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C1CCC1
Show InChI InChI=1S/C12H17N3O.C2H2O4/c1-15-7-3-6-10(8-15)12-13-11(14-16-12)9-4-2-5-9;3-1(4)2(5)6/h6,9H,2-5,7-8H2,1H3;(H,3,4)(H,5,6)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229065
PNG
(CHEMBL262517)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C12H19N3O.C2H2O4/c1-12(2,3)11-13-10(16-14-11)9-6-5-7-15(4)8-9;3-1(4)2(5)6/h6H,5,7-8H2,1-4H3;(H,3,4)(H,5,6)
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n/an/a 286n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229065
PNG
(CHEMBL262517)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C12H19N3O.C2H2O4/c1-12(2,3)11-13-10(16-14-11)9-6-5-7-15(4)8-9;3-1(4)2(5)6/h6H,5,7-8H2,1-4H3;(H,3,4)(H,5,6)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229064
PNG
(CHEMBL159839)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C1CCC1
Show InChI InChI=1S/C12H17N3O.C2H2O4/c1-15-7-3-6-10(8-15)12-13-11(14-16-12)9-4-2-5-9;3-1(4)2(5)6/h6,9H,2-5,7-8H2,1H3;(H,3,4)(H,5,6)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229064
PNG
(CHEMBL159839)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C1CCC1
Show InChI InChI=1S/C12H17N3O.C2H2O4/c1-15-7-3-6-10(8-15)12-13-11(14-16-12)9-4-2-5-9;3-1(4)2(5)6/h6,9H,2-5,7-8H2,1H3;(H,3,4)(H,5,6)
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n/an/a 191n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229065
PNG
(CHEMBL262517)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C12H19N3O.C2H2O4/c1-12(2,3)11-13-10(16-14-11)9-6-5-7-15(4)8-9;3-1(4)2(5)6/h6H,5,7-8H2,1-4H3;(H,3,4)(H,5,6)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229011
PNG
(CHEMBL111478)
Show SMILES COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C29H26FN3O4/c1-37-26-13-12-19(14-22(26)30)16-32-18-31-23-17-33(25(29(35)36)15-24(23)32)28(34)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-14,18,25,27H,15-17H2,1H3,(H,35,36)/t25-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229012
PNG
(CHEMBL322260)
Show SMILES OC(=O)C1Cc2c(CN1S(=O)(=O)Cc1ccccc1)ncn2Cc1ccccc1
Show InChI InChI=1S/C21H21N3O4S/c25-21(26)20-11-19-18(22-15-23(19)12-16-7-3-1-4-8-16)13-24(20)29(27,28)14-17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,25,26)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229013
PNG
(CHEMBL320527)
Show SMILES COc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccc(OC)c(C)c3)c2C[C@H]1C(O)=O)c1ccc(OC)cc1
Show InChI InChI=1S/C32H33N3O6/c1-20-15-21(5-14-29(20)41-4)17-34-19-33-26-18-35(28(32(37)38)16-27(26)34)31(36)30(22-6-10-24(39-2)11-7-22)23-8-12-25(40-3)13-9-23/h5-15,19,28,30H,16-18H2,1-4H3,(H,37,38)/t28-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229014
PNG
(CHEMBL110531)
Show SMILES COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C2CCCC2)c2ccccc2)cc1C
Show InChI InChI=1S/C29H33N3O4/c1-19-14-20(12-13-26(19)36-2)16-31-18-30-23-17-32(25(29(34)35)15-24(23)31)28(33)27(22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-14,18,22,25,27H,6-7,10-11,15-17H2,1-2H3,(H,34,35)/t25-,27?/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229017
PNG
(CHEMBL320087)
Show SMILES Cc1cc(Cn2cnc3CN(C(CO)Cc23)C(=O)C(c2ccccc2)c2ccccc2)ccc1[N+]([O-])=O
Show InChI InChI=1S/C29H28N4O4/c1-20-14-21(12-13-26(20)33(36)37)16-31-19-30-25-17-32(24(18-34)15-27(25)31)29(35)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-14,19,24,28,34H,15-18H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229018
PNG
(CHEMBL326255)
Show SMILES OC(=O)C1Cc2c(CN1C(=O)CCc1ccccc1)ncn2Cc1ccccc1
Show InChI InChI=1S/C23H23N3O3/c27-22(12-11-17-7-3-1-4-8-17)26-15-19-20(13-21(26)23(28)29)25(16-24-19)14-18-9-5-2-6-10-18/h1-10,16,21H,11-15H2,(H,28,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229040
PNG
(CHEMBL156140)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H17N3O4/c1-29-21(27)16-9-5-10-17(13-16)25-19-18(11-6-12-23-19)20(26)24(22(25)28)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229041
PNG
(CHEMBL351567)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CCCC2)c1=O
Show InChI InChI=1S/C21H21N3O4/c1-28-20(26)15-8-4-9-16(12-15)24-18-17(10-5-11-22-18)19(25)23(21(24)27)13-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7,13H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair