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13 similar compounds to monomer 50412355

Compile data set for download or QSAR
Wt: 441.5
BDBM50043254
Wt: 467.6
BDBM50043256
Wt: 399.4
BDBM50043258
Wt: 469.6
BDBM50043259
Wt: 483.6
BDBM50043265
Wt: 481.5
BDBM50043270
Wt: 399.4
BDBM50043272
Wt: 441.5
BDBM50043273
Wt: 538.0
BDBM50412352
Wt: 538.0
BDBM50412353
Wt: 503.5
BDBM50412354
Wt: 455.5
BDBM50412356
Wt: 483.6
BDBM50412357

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50043254,50043256,50043258,50043259,50043265,50043270,50043272,50043273,50412352,50412353,50412354,50412356,50412357   
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)
BDBM50043254
PNG
(4'-(6-Acetylamino-2-butyl-benzoimidazol-1-ylmethyl...)
Show SMILES CCCCc1nc2ccc(NC(C)=O)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C27H27N3O3/c1-3-4-9-26-29-24-15-14-21(28-18(2)31)16-25(24)30(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27(32)33/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,28,31)(H,32,33)
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n/an/a 180n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412357
PNG
(CHEMBL519564)
Show SMILES CCCCC(=O)Nc1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(CCCC)nc2c1
Show InChI InChI=1S/C30H33N3O3/c1-3-5-11-28-32-26-19-23(31-29(34)12-6-4-2)17-18-27(26)33(28)20-21-13-15-22(16-14-21)24-9-7-8-10-25(24)30(35)36/h7-10,13-19H,3-6,11-12,20H2,1-2H3,(H,31,34)(H,35,36)
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n/an/an/a 398n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Eur J Med Chem 43: 1808-12 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.008
BindingDB Entry DOI: 10.7270/Q2BZ679K
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043258
PNG
(4'-(5-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biph...)
Show SMILES CCCCc1nc2cc(N)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H25N3O2/c1-2-3-8-24-27-22-15-19(26)13-14-23(22)28(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25(29)30/h4-7,9-15H,2-3,8,16,26H2,1H3,(H,29,30)
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n/an/a 820n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043259
PNG
(4'-(2-Butyl-6-pentylamino-benzoimidazol-1-ylmethyl...)
Show SMILES CCCCCNc1ccc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C30H35N3O2/c1-3-5-9-19-31-24-17-18-27-28(20-24)33(29(32-27)12-6-4-2)21-22-13-15-23(16-14-22)25-10-7-8-11-26(25)30(34)35/h7-8,10-11,13-18,20,31H,3-6,9,12,19,21H2,1-2H3,(H,34,35)
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n/an/a 390n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043265
PNG
(4'-(2-Butyl-6-pentanoylamino-benzoimidazol-1-ylmet...)
Show SMILES CCCCC(=O)Nc1ccc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C30H33N3O3/c1-3-5-11-28-32-26-18-17-23(31-29(34)12-6-4-2)19-27(26)33(28)20-21-13-15-22(16-14-21)24-9-7-8-10-25(24)30(35)36/h7-10,13-19H,3-6,11-12,20H2,1-2H3,(H,31,34)(H,35,36)
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n/an/a 86n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043270
PNG
(4'-[2-Butyl-6-(2-oxo-piperidin-1-yl)-benzoimidazol...)
Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)N1CCCCC1=O
Show InChI InChI=1S/C30H31N3O3/c1-2-3-10-28-31-26-17-16-23(32-18-7-6-11-29(32)34)19-27(26)33(28)20-21-12-14-22(15-13-21)24-8-4-5-9-25(24)30(35)36/h4-5,8-9,12-17,19H,2-3,6-7,10-11,18,20H2,1H3,(H,35,36)
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n/an/a 81n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043273
PNG
(4'-(5-Acetylamino-2-butyl-benzoimidazol-1-ylmethyl...)
Show SMILES CCCCc1nc2cc(NC(C)=O)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C27H27N3O3/c1-3-4-9-26-29-24-16-21(28-18(2)31)14-15-25(24)30(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27(32)33/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,28,31)(H,32,33)
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n/an/a 460n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043272
PNG
(4'-(6-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biph...)
Show SMILES CCCCc1nc2ccc(N)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H25N3O2/c1-2-3-8-24-27-22-14-13-19(26)15-23(22)28(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25(29)30/h4-7,9-15H,2-3,8,16,26H2,1H3,(H,29,30)
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n/an/a 540n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50043273
PNG
(4'-(5-Acetylamino-2-butyl-benzoimidazol-1-ylmethyl...)
Show SMILES CCCCc1nc2cc(NC(C)=O)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C27H27N3O3/c1-3-4-9-26-29-24-16-21(28-18(2)31)14-15-25(24)30(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27(32)33/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,28,31)(H,32,33)
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n/an/an/a 10n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Eur J Med Chem 43: 1808-12 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.008
BindingDB Entry DOI: 10.7270/Q2BZ679K
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50043258
PNG
(4'-(5-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biph...)
Show SMILES CCCCc1nc2cc(N)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H25N3O2/c1-2-3-8-24-27-22-15-19(26)13-14-23(22)28(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25(29)30/h4-7,9-15H,2-3,8,16,26H2,1H3,(H,29,30)
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n/an/an/a 15.8n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Eur J Med Chem 43: 1808-12 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.008
BindingDB Entry DOI: 10.7270/Q2BZ679K
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412352
PNG
(CHEMBL488883)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39)
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n/an/an/a 631n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Eur J Med Chem 43: 1808-12 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.008
BindingDB Entry DOI: 10.7270/Q2BZ679K
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412353
PNG
(CHEMBL486848)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-12-30-35-28-19-23(34-31(37)26-10-6-7-11-27(26)33)17-18-29(28)36(30)20-21-13-15-22(16-14-21)24-8-4-5-9-25(24)32(38)39/h4-11,13-19H,2-3,12,20H2,1H3,(H,34,37)(H,38,39)
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n/an/an/a 316n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Eur J Med Chem 43: 1808-12 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.008
BindingDB Entry DOI: 10.7270/Q2BZ679K
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412354
PNG
(CHEMBL486847)
Show SMILES CCCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H29N3O3/c1-2-3-13-30-34-28-20-25(33-31(36)24-9-5-4-6-10-24)18-19-29(28)35(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)32(37)38/h4-12,14-20H,2-3,13,21H2,1H3,(H,33,36)(H,37,38)
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n/an/an/a 251n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Eur J Med Chem 43: 1808-12 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.008
BindingDB Entry DOI: 10.7270/Q2BZ679K
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412356
PNG
(CHEMBL471334)
Show SMILES CCCCc1nc2cc(NC(=O)CC)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C28H29N3O3/c1-3-5-10-26-30-24-17-21(29-27(32)4-2)15-16-25(24)31(26)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)28(33)34/h6-9,11-17H,3-5,10,18H2,1-2H3,(H,29,32)(H,33,34)
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n/an/an/a 19.9n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Eur J Med Chem 43: 1808-12 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.008
BindingDB Entry DOI: 10.7270/Q2BZ679K
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043256
PNG
(4'-(2-Butyl-6-piperidin-1-yl-benzoimidazol-1-ylmet...)
Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)N1CCCCC1
Show InChI InChI=1S/C30H33N3O2/c1-2-3-11-29-31-27-17-16-24(32-18-7-4-8-19-32)20-28(27)33(29)21-22-12-14-23(15-13-22)25-9-5-6-10-26(25)30(34)35/h5-6,9-10,12-17,20H,2-4,7-8,11,18-19,21H2,1H3,(H,34,35)
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n/an/a 160n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair