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Compile Data Set for Download or QSAR

Found 23 hits of kd data for polymerid = 49000265,49000267   
Target
(Institution)
LigandTarget
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
AGTR1


(RAT)
BDBM50452851
PNG
(CHEMBL2373017)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C43H65N13O10S2/c1-4-24(2)35(42(65)66)55-40(63)33-8-6-16-56(33)41(64)32(20-26-21-47-23-49-26)54-38(61)30-14-18-68-67-17-13-29(37(60)53-31(39(62)52-30)19-25-9-11-27(57)12-10-25)51-36(59)28(50-34(58)22-46-3)7-5-15-48-43(44)45/h9-12,21,23-24,28-33,35,46,57H,4-8,13-20,22H2,1-3H3,(H,47,49)(H,50,58)(H,51,59)(H,52,62)(H,53,60)(H,54,61)(H,55,63)(H,65,66)(H4,44,45,48)/t24-,28-,29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/a 0.813n/an/an/an/an/a


TBA

Assay Description
pA2 value for Angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 3.16n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50005347
PNG
(4'-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)biphe...)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
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n/an/an/a 3.16n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412545
PNG
(CHEMBL518388)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C29H33N3O4S/c1-5-6-11-27-30-25-18-22(37(35,36)31-29(2,3)4)16-17-26(25)32(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28(33)34/h7-10,12-18,31H,5-6,11,19H2,1-4H3,(H,33,34)
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n/an/an/a 3.98n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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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 aortic rings


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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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


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412544
PNG
(CHEMBL517626)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C31H35N3O4S/c1-2-3-13-30-32-28-20-25(39(37,38)33-24-9-5-4-6-10-24)18-19-29(28)34(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(35)36/h7-8,11-12,14-20,24,33H,2-6,9-10,13,21H2,1H3,(H,35,36)
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n/an/an/a 12.6n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/an/a 39.8n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412546
PNG
(CHEMBL518230)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(=O)(=O)NC(C)C
Show InChI InChI=1S/C28H31N3O4S/c1-4-5-10-27-29-25-17-22(36(34,35)30-19(2)3)15-16-26(25)31(27)18-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28(32)33/h6-9,11-17,19,30H,4-5,10,18H2,1-3H3,(H,32,33)
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n/an/an/a 63.1n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412355
PNG
(CHEMBL471505)
Show SMILES CCCCc1nc2cc(NC(=O)CCC)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H31N3O3/c1-3-5-11-27-31-25-18-22(30-28(33)8-4-2)16-17-26(25)32(27)19-20-12-14-21(15-13-20)23-9-6-7-10-24(23)29(34)35/h6-7,9-10,12-18H,3-5,8,11,19H2,1-2H3,(H,30,33)(H,34,35)
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n/an/an/a 79.4n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aorta


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412550
PNG
(CHEMBL479626)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(=O)(=O)NCCC
Show InChI InChI=1S/C28H31N3O4S/c1-3-5-10-27-30-25-18-22(36(34,35)29-17-4-2)15-16-26(25)31(27)19-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28(32)33/h6-9,11-16,18,29H,3-5,10,17,19H2,1-2H3,(H,32,33)
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n/an/an/a 79.4n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412547
PNG
(CHEMBL517230)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(=O)(=O)NCC
Show InChI InChI=1S/C27H29N3O4S/c1-3-5-10-26-29-24-17-21(35(33,34)28-4-2)15-16-25(24)30(26)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)27(31)32/h6-9,11-17,28H,3-5,10,18H2,1-2H3,(H,31,32)
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n/an/an/a 79.4n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412549
PNG
(CHEMBL465929)
Show SMILES CCCCNS(=O)(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(CCCC)nc2c1
Show InChI InChI=1S/C29H33N3O4S/c1-3-5-11-28-31-26-19-23(37(35,36)30-18-6-4-2)16-17-27(26)32(28)20-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29(33)34/h7-10,12-17,19,30H,3-6,11,18,20H2,1-2H3,(H,33,34)
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n/an/an/a 100n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412548
PNG
(CHEMBL480018)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(=O)(=O)NC
Show InChI InChI=1S/C26H27N3O4S/c1-3-4-9-25-28-23-16-20(34(32,33)27-2)14-15-24(23)29(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)26(30)31/h5-8,10-16,27H,3-4,9,17H2,1-2H3,(H,30,31)
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n/an/an/a 126n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412542
PNG
(CHEMBL480017)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C25H25N3O4S/c1-2-3-8-24-27-22-15-19(33(26,31)32)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,2-3,8,16H2,1H3,(H,29,30)(H2,26,31,32)
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n/an/an/a 200n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412543
PNG
(CHEMBL465097)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C25H24N2O5S/c1-2-3-8-24-26-22-15-19(33(30,31)32)13-14-23(22)27(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25(28)29/h4-7,9-15H,2-3,8,16H2,1H3,(H,28,29)(H,30,31,32)
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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 aortic rings


Citation and Details
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


Citation and Details
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


Citation and Details
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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Article
PubMed
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


Citation and Details
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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CHEMBL
PC cid
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UniChem

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AffyNet 
Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair