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Patent code US9624243

Compile Data Set for Download or QSAR
Found 85 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(HUMAN)
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)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/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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US Patent
0.898n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318822
PNG
(US9624243, Losartin)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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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5.5n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)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/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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US Patent
n/an/a 1.80n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318817
PNG
(1-(2S,4S)-44(3-(4-fluorophenyl)propyl)(methyl)amin...)
Show SMILES CN(CCCc1ccc(F)cc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C29H31FN6O/c1-35(18-8-9-21-14-16-24(30)17-15-21)25-19-26(28-31-33-34-32-28)36(20-25)29(37)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-17,25-27H,8-9,18-20H2,1H3,(H,31,32,33,34)/t25-,26-/m0/s1
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n/an/a 3.52n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318822
PNG
(US9624243, Losartin)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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/a 11n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318782
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((3-(4-fluorophen...)
Show SMILES CN(CCCc1ccc(F)cc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H31FN2O3/c1-31(18-8-9-21-14-16-24(30)17-15-21)25-19-26(29(34)35)32(20-25)28(33)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-17,25-27H,8-9,18-20H2,1H3,(H,34,35)/t25-,26-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318800
PNG
((2S,4S)-N-(N,N-dimethylsulfamoyl)-1-(2,2-diphenyla...)
Show SMILES CN(C)S(=O)(=O)NC(=C)[C@@H]1C[C@@H](CC1C(=O)C(c1ccccc1)c1ccccc1)N(C)CCCc1ccc(F)cc1
Show InChI InChI=1S/C33H40FN3O3S/c1-24(35-41(39,40)36(2)3)30-22-29(37(4)21-11-12-25-17-19-28(34)20-18-25)23-31(30)33(38)32(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20,29-32,35H,1,11-12,21-23H2,2-4H3/t29-,30-,31?/m0/s1
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n/an/a 17.1n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318790
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(5-phenyl-1H-1,2,...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)n1nncc1-c1ccccc1
Show InChI InChI=1S/C27H24N4O3/c32-26(25(20-12-6-2-7-13-20)21-14-8-3-9-15-21)30-18-22(16-23(30)27(33)34)31-24(17-28-29-31)19-10-4-1-5-11-19/h1-15,17,22-23,25H,16,18H2,(H,33,34)/t22-,23-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318810
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((2-fluorophenoxy...)
Show SMILES CN(CCOc1ccccc1F)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H29FN2O4/c1-30(16-17-35-25-15-9-8-14-23(25)29)22-18-24(28(33)34)31(19-22)27(32)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,24,26H,16-19H2,1H3,(H,33,34)/t22-,24-/m0/s1
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n/an/a 20.5n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318780
PNG
((3R,3′S,5′S)-1-(2,2-diphenylacetyl)-3-...)
Show SMILES OC(=O)[C@@H]1CC(CC1C(=C)C(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C31H33NO2/c1-22(30(24-13-7-3-8-14-24)25-15-9-4-10-16-25)28-19-27(20-29(28)31(33)34)32-18-17-26(21-32)23-11-5-2-6-12-23/h2-16,26-30H,1,17-21H2,(H,33,34)/t26-,27?,28?,29+/m0/s1
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n/an/a 43.6n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318761
PNG
( (2S,4S)-4-(3-benzylpiperidin-1-yl)-1-(2,2-dipheny...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCC(Cc2ccccc2)C1
Show InChI InChI=1S/C31H34N2O3/c34-30(29(25-14-6-2-7-15-25)26-16-8-3-9-17-26)33-22-27(20-28(33)31(35)36)32-18-10-13-24(21-32)19-23-11-4-1-5-12-23/h1-9,11-12,14-17,24,27-29H,10,13,18-22H2,(H,35,36)/t24?,27-,28-/m0/s1
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n/an/a 43.9n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318774
PNG
( (2R,4R)-4-(2-benzylpiperidin-1-yl)-1-(2,2-dipheny...)
Show SMILES OC(=O)[C@H]1C[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C31H34N2O3/c34-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)33-22-27(21-28(33)31(35)36)32-19-11-10-18-26(32)20-23-12-4-1-5-13-23/h1-9,12-17,26-29H,10-11,18-22H2,(H,35,36)/t26?,27-,28-/m1/s1
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n/an/a 49.1n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318760
PNG
(US9624243, 51)
Show SMILES OC(=O)[C@H]1C[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C30H32N2O3/c33-29(28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)32-21-26(19-27(32)30(34)35)31-18-10-17-25(20-31)22-11-4-1-5-12-22/h1-9,11-16,25-28H,10,17-21H2,(H,34,35)/t25-,26+,27+/m0/s1
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n/an/a 50.3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318747
PNG
(4-(benzyloxy)-1-(2,2-diphenylacetyl)indoline-2-car...)
Show SMILES OC(C(c1ccccc1)c1ccccc1)N1C(Cc2c1cccc2Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H25NO4/c31-28(27(20-11-4-1-5-12-20)21-13-6-2-7-14-21)30-24-17-10-18-26(23(24)19-25(30)29(32)33)34-22-15-8-3-9-16-22/h1-18,25,27-28,31H,19H2,(H,32,33)
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n/an/a 54.5n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318806
PNG
((2S,4S)-4-((benzylthio)methyl)-1-(2,2-diphenylacet...)
Show SMILES OC(=O)[C@@H]1C[C@H](CSCc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H27NO3S/c29-26(25(22-12-6-2-7-13-22)23-14-8-3-9-15-23)28-17-21(16-24(28)27(30)31)19-32-18-20-10-4-1-5-11-20/h1-15,21,24-25H,16-19H2,(H,30,31)/t21-,24-/m0/s1
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n/an/a 57.7n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318758
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((R)-3-phenylpipe...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C30H32N2O3/c33-29(28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)32-21-26(19-27(32)30(34)35)31-18-10-17-25(20-31)22-11-4-1-5-12-22/h1-9,11-16,25-28H,10,17-21H2,(H,34,35)/t25-,26-,27-/m0/s1
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n/an/a 58.8n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318750
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(methyl(3-phenylp...)
Show SMILES CN(CCCc1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H32N2O3/c1-30(19-11-14-22-12-5-2-6-13-22)25-20-26(29(33)34)31(21-25)28(32)27(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,12-13,15-18,25-27H,11,14,19-21H2,1H3,(H,33,34)/t25-,26-/m0/s1
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n/an/a 62.1n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318824
PNG
(US9624243, 52)
Show SMILES OC(=O)[C@H]1C[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC[C@H](C1)c1ccccc1
Show InChI InChI=1S/C30H32N2O3/c33-29(28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)32-21-26(19-27(32)30(34)35)31-18-10-17-25(20-31)22-11-4-1-5-12-22/h1-9,11-16,25-28H,10,17-21H2,(H,34,35)/t25-,26-,27-/m1/s1
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n/an/a 63.2n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318781
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(methyl(4-phenylb...)
Show SMILES CN(CCCCc1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H34N2O3/c1-31(20-12-11-15-23-13-5-2-6-14-23)26-21-27(30(34)35)32(22-26)29(33)28(24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-10,13-14,16-19,26-28H,11-12,15,20-22H2,1H3,(H,34,35)/t26-,27-/m0/s1
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n/an/a 64.2n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318759
PNG
((2S,4S)—N—(N,N-dimethylsulfamoyl)-1-(2,2...)
Show SMILES CN(C)S(=O)(=O)NC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C30H35N3O5S/c1-32(2)39(36,37)31-29(34)27-21-26(38-20-12-15-23-13-6-3-7-14-23)22-33(27)30(35)28(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-11,13-14,16-19,26-28H,12,15,20-22H2,1-2H3,(H,31,34)/t26-,27-/m0/s1
PDB

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n/an/a 67.3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318777
PNG
((2S,4S)-44(4aS,7aS)-6-benzoctahydro-1H-pyrrolo[3,4...)
Show SMILES COC(=O)[C@@H]1CC(CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC[C@H]2CN(C[C@@H]12)c1ccccc1
Show InChI InChI=1S/C33H37N3O3/c1-39-33(38)29-20-28(35-19-11-16-26-21-34(23-30(26)35)27-17-9-4-10-18-27)22-36(29)32(37)31(24-12-5-2-6-13-24)25-14-7-3-8-15-25/h2-10,12-15,17-18,26,28-31H,11,16,19-23H2,1H3/t26-,28?,29-,30+/m0/s1
PDB

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n/an/a 75.8n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318766
PNG
( (3′S,5′S)-2-benzyl-(2,2-diphenylacety...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1)N1CCCC1(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32N2O3/c33-28(27(23-13-6-2-7-14-23)24-15-8-3-9-16-24)30(20-22-11-4-1-5-12-22)17-10-18-32(30)25-19-26(29(34)35)31-21-25/h1-9,11-16,25-27,31H,10,17-21H2,(H,34,35)/t25-,26-,30?/m0/s1
PDB

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n/an/a 83.3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318753
PNG
((2S,4S)-4-((S)-3-benzylmorpholino)-1-(2,2-diphenyl...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCOC[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C30H32N2O4/c33-29(28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)32-20-25(19-27(32)30(34)35)31-16-17-36-21-26(31)18-22-10-4-1-5-11-22/h1-15,25-28H,16-21H2,(H,34,35)/t25-,26-,27-/m0/s1
PDB

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n/an/a 86.9n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318815
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-44(3-(4-fluoropheny...)
Show SMILES CN(CCCc1ccc(F)cc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H32FN3O2/c1-32(18-8-9-21-14-16-24(30)17-15-21)25-19-26(28(31)34)33(20-25)29(35)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-17,25-27H,8-9,18-20H2,1H3,(H2,31,34)/t25-,26-/m0/s1
PDB

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n/an/a 89n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318757
PNG
(Compound 107 (2S,4S)-1-(2,2-diphenylacetyl)-4-(3-p...)
Show SMILES OC(=O)[C@@H]1CC(CN1C(=O)C(c1ccccc1)c1ccccc1)c1sccc1-c1ccccc1
Show InChI InChI=1S/C29H25NO3S/c31-28(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-19-23(18-25(30)29(32)33)27-24(16-17-34-27)20-10-4-1-5-11-20/h1-17,23,25-26H,18-19H2,(H,32,33)/t23?,25-/m0/s1
PDB

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n/an/a 89.4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318744
PNG
((2S,4S)-4-cinnamyloxy-1-(2,2-diphenylacetyl)pyrrol...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCC=Cc1ccccc1
Show InChI InChI=1S/C28H27NO4/c30-27(26(22-14-6-2-7-15-22)23-16-8-3-9-17-23)29-20-24(19-25(29)28(31)32)33-18-10-13-21-11-4-1-5-12-21/h1-17,24-26H,18-20H2,(H,31,32)/t24-,25-/m0/s1
PDB

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n/an/a 90n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318746
PNG
( (2S,4R)-1-(2,2-diphenylacetyl)-4-(3-phenylpropoxy...)
Show SMILES OC(=O)[C@@H]1C[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C28H29NO4/c30-27(26(22-14-6-2-7-15-22)23-16-8-3-9-17-23)29-20-24(19-25(29)28(31)32)33-18-10-13-21-11-4-1-5-12-21/h1-9,11-12,14-17,24-26H,10,13,18-20H2,(H,31,32)/t24-,25+/m1/s1
PDB

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n/an/a 98.6n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318778
PNG
((2S,4S)-4-((4aR,7aR)-6-benzoctahydro-1H-pyrrolo[3,...)
Show SMILES COC(=O)[C@@H]1CC(CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC[C@@H]2CN(C[C@H]12)c1ccccc1
Show InChI InChI=1S/C33H37N3O3/c1-39-33(38)29-20-28(35-19-11-16-26-21-34(23-30(26)35)27-17-9-4-10-18-27)22-36(29)32(37)31(24-12-5-2-6-13-24)25-14-7-3-8-15-25/h2-10,12-15,17-18,26,28-31H,11,16,19-23H2,1H3/t26-,28?,29+,30+/m1/s1
PDB

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n/an/a 103n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318767
PNG
( (3′R,5′R)-2-benzyl-(2,2-diphenylacety...)
Show SMILES OC(=O)[C@H]1C[C@H](CN1)N1CCCC1(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32N2O3/c33-28(27(23-13-6-2-7-14-23)24-15-8-3-9-16-24)30(20-22-11-4-1-5-12-22)17-10-18-32(30)25-19-26(29(34)35)31-21-25/h1-9,11-16,25-27,31H,10,17-21H2,(H,34,35)/t25-,26-,30?/m1/s1
PDB

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n/an/a 107n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318742
PNG
((2S,4S)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrol...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25NO4/c28-25(24(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-17-22(16-23(27)26(29)30)31-18-19-10-4-1-5-11-19/h1-15,22-24H,16-18H2,(H,29,30)/t22-,23-/m0/s1
PDB

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n/an/a 114n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318784
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(methyl(3-pyridin...)
Show SMILES CC(CCN[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O)c1cccnc1
Show InChI InChI=1S/C28H31N3O3/c1-20(23-13-8-15-29-18-23)14-16-30-24-17-25(28(33)34)31(19-24)27(32)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,15,18,20,24-26,30H,14,16-17,19H2,1H3,(H,33,34)/t20?,24-,25-/m0/s1
PDB

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n/an/a 126n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318783
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((3-(4-methoxy-3-...)
Show SMILES COc1ccc(CCCN(C)[C@H]2C[C@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(O)=O)cc1C
Show InChI InChI=1S/C31H36N2O4/c1-22-19-23(16-17-28(22)37-3)11-10-18-32(2)26-20-27(31(35)36)33(21-26)30(34)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-17,19,26-27,29H,10-11,18,20-21H2,1-3H3,(H,35,36)/t26-,27-/m0/s1
PDB

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n/an/a 134n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318807
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((phenylthio)meth...)
Show SMILES OC(=O)[C@@H]1C[C@H](CSc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO3S/c28-25(24(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-17-19(16-23(27)26(29)30)18-31-22-14-8-3-9-15-22/h1-15,19,23-24H,16-18H2,(H,29,30)/t19-,23-/m0/s1
PDB

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n/an/a 143n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318762
PNG
((28,48)-4-((benzyloxymethyl)-1-(2,2-diphenylacetyl...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C25H23NO4/c27-24(23(18-10-4-1-5-11-18)19-12-6-2-7-13-19)26-17-21(16-22(26)25(28)29)30-20-14-8-3-9-15-20/h1-15,21-23H,16-17H2,(H,28,29)/t21-,22-/m0/s1
PDB

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n/an/a 155n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318816
PNG
((2S,4S)-1-(2,2diphenylacetyl)-4˜03-(4-fluorop...)
Show SMILES CN(CCCc1ccc(F)cc1)[C@H]1C[C@@H](C#N)N(C1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30FN3O/c1-32(18-8-9-22-14-16-25(30)17-15-22)27-19-26(20-31)33(21-27)29(34)28(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-17,26-28H,8-9,18-19,21H2,1H3/t26-,27-/m0/s1
PDB

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n/an/a 173n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318745
PNG
(Compound 9 (2S,4R)-1-(2,2-diphenylacetyl)-4-(3-phe...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C28H29NO4/c30-27(26(22-14-6-2-7-15-22)23-16-8-3-9-17-23)29-20-24(19-25(29)28(31)32)33-18-10-13-21-11-4-1-5-12-21/h1-9,11-12,14-17,24-26H,10,13,18-20H2,(H,31,32)/t24-,25-/m0/s1
PDB

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n/an/a 181n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318743
PNG
((2S,4R)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrol...)
Show SMILES OC(=O)[C@@H]1C[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25NO4/c28-25(24(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-17-22(16-23(27)26(29)30)31-18-19-10-4-1-5-11-19/h1-15,22-24H,16-18H2,(H,29,30)/t22-,23+/m1/s1
PDB

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n/an/a 193n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318814
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-N-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)NC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O5S/c1-37(34,35)30-28(32)26-20-25(36-19-11-14-22-12-5-2-6-13-22)21-31(26)29(33)27(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,12-13,15-18,25-27H,11,14,19-21H2,1H3,(H,30,32)/t25-,26-/m0/s1
PDB

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n/an/a 240n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318788
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(N-3-phenylpropyl...)
Show SMILES CC(=O)N(CCCc1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H32N2O4/c1-22(33)31(19-11-14-23-12-5-2-6-13-23)26-20-27(30(35)36)32(21-26)29(34)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,12-13,15-18,26-28H,11,14,19-21H2,1H3,(H,35,36)/t26-,27-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318799
PNG
((2S,4S)-N-(N,N-dimethylsulfamoyl)-1-(2,2-diphenyla...)
Show SMILES CN(C)S(=O)(=O)NC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C30H35N3O5S/c1-32(2)39(36,37)31-29(34)27-21-26(38-20-12-15-23-13-6-3-7-14-23)22-33(27)30(35)28(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-11,13-14,16-19,26-28H,12,15,20-22H2,1-2H3,(H,31,34)/t26-,27-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318752
PNG
( (2S,4S)-1-(2,2-diphenylacetyl)-4-(4-phenylpiperaz...)
Show SMILES OC(=O)[C@@H]1CC(CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C29H31N3O3/c33-28(27(22-10-4-1-5-11-22)23-12-6-2-7-13-23)32-21-25(20-26(32)29(34)35)31-18-16-30(17-19-31)24-14-8-3-9-15-24/h1-15,25-27H,16-21H2,(H,34,35)/t25?,26-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318803
PNG
((2S,4S)-4-((benzylsulfonyl)methyl)-1-(diphenylacet...)
Show SMILES OC(=O)[C@@H]1C[C@H](CS(=O)(=O)Cc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H27NO5S/c29-26(25(22-12-6-2-7-13-22)23-14-8-3-9-15-23)28-17-21(16-24(28)27(30)31)19-34(32,33)18-20-10-4-1-5-11-20/h1-15,21,24-25H,16-19H2,(H,30,31)/t21-,24-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318764
PNG
(1-((2R,3S)-2-(hydroxymethyl)-3-(3-phenylpropoxy)-a...)
Show SMILES OC(=O)[C@H]1[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C27H27NO4/c29-26(24(21-14-6-2-7-15-21)22-16-8-3-9-17-22)28-19-23(25(28)27(30)31)32-18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,23-25H,10,13,18-19H2,(H,30,31)/t23-,25-/m1/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318801
PNG
( (2S,4S)-4-(6-benzyl-7-oxa-2,6-diazaspiro[4,5]deca...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC2(C1)CCCON2Cc1ccccc1
Show InChI InChI=1S/C33H37N3O4/c37-31(30(26-13-6-2-7-14-26)27-15-8-3-9-16-27)35-23-28(21-29(35)32(38)39)34-19-18-33(24-34)17-10-20-40-36(33)22-25-11-4-1-5-12-25/h1-9,11-16,28-30H,10,17-24H2,(H,38,39)/t28-,29-,33?/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318808
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((3-phenylpropyl)...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)SCCCc1ccccc1
Show InChI InChI=1S/C28H29NO3S/c30-27(26(22-14-6-2-7-15-22)23-16-8-3-9-17-23)29-20-24(19-25(29)28(31)32)33-18-10-13-21-11-4-1-5-12-21/h1-9,11-12,14-17,24-26H,10,13,18-20H2,(H,31,32)/t24-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318821
PNG
( (2R,3R)-3-(3-phenylpropoxy)-1-(2,2-diphenylacetyl...)
Show SMILES OC(=O)[C@H]1[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C27H27NO4/c29-26(24(21-14-6-2-7-15-21)22-16-8-3-9-17-22)28-19-23(25(28)27(30)31)32-18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,23-25H,10,13,18-19H2,(H,30,31)/t23-,25-/m1/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318751
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(methyl(phenyleth...)
Show SMILES CN(CCc1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H30N2O3/c1-29(18-17-21-11-5-2-6-12-21)24-19-25(28(32)33)30(20-24)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26H,17-20H2,1H3,(H,32,33)/t24-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318763
PNG
((2S,4R)-4-(2-(benzyloxy)ethyl)-1-(2,2-diphenylacet...)
Show SMILES OC(=O)[C@@H]1C[C@H](CCOCc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29NO4/c30-27(26(23-12-6-2-7-13-23)24-14-8-3-9-15-24)29-19-22(18-25(29)28(31)32)16-17-33-20-21-10-4-1-5-11-21/h1-15,22,25-26H,16-20H2,(H,31,32)/t22-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318791
PNG
((2S,4S)-4-(5-benzyl-1H-1,2,3-triazol-1-yl)-1-(2,2-...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)n1nncc1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)31-19-24(17-25(31)28(34)35)32-23(18-29-30-32)16-20-10-4-1-5-11-20/h1-15,18,24-26H,16-17,19H2,(H,34,35)/t24-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318795
PNG
( (2S,4S)-1-(2,2-diphenylacetyl)-4-(4-phenylbutyl)-...)
Show SMILES OC(=O)[C@@H]1C[C@H](CCCCc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO3/c31-28(27(24-16-6-2-7-17-24)25-18-8-3-9-19-25)30-21-23(20-26(30)29(32)33)15-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,16-19,23,26-27H,10-11,14-15,20-21H2,(H,32,33)/t23-,26-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318787
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(N-methyl-3-pheny...)
Show SMILES CN([C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C29H30N2O4/c1-30(26(32)18-17-21-11-5-2-6-12-21)24-19-25(29(34)35)31(20-24)28(33)27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-25,27H,17-20H2,1H3,(H,34,35)/t24-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318796
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(3-phenylthiophen...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)c1sccc1-c1ccccc1
Show InChI InChI=1S/C29H25NO3S/c31-28(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-19-23(18-25(30)29(32)33)27-24(16-17-34-27)20-10-4-1-5-11-20/h1-17,23,25-26H,18-19H2,(H,32,33)/t23-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318769
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(methyl((2-phenyl...)
Show SMILES CN(CC1CC1c1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H32N2O3/c1-31(19-24-17-26(24)21-11-5-2-6-12-21)25-18-27(30(34)35)32(20-25)29(33)28(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-28H,17-20H2,1H3,(H,34,35)/t24?,25-,26?,27-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318792
PNG
((2S,4S)-4-((S)-3-benzyl-5-oxomorpholino)-1-(2,2-di...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1[C@@H](Cc2ccccc2)COCC1=O
Show InChI InChI=1S/C30H30N2O5/c33-27-20-37-19-25(16-21-10-4-1-5-11-21)32(27)24-17-26(30(35)36)31(18-24)29(34)28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-26,28H,16-20H2,(H,35,36)/t24-,25-,26-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318785
PNG
((2S,4R)-4-(cinnamyloxy)-1-(2,2-diphenylacetyl)pyrr...)
Show SMILES OC(=O)[C@@H]1C[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCC=Cc1ccccc1
Show InChI InChI=1S/C28H27NO4/c30-27(26(22-14-6-2-7-15-22)23-16-8-3-9-17-23)29-20-24(19-25(29)28(31)32)33-18-10-13-21-11-4-1-5-12-21/h1-17,24-26H,18-20H2,(H,31,32)/t24-,25+/m1/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318789
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(N-(3-phenylpropy...)
Show SMILES CS(=O)(=O)N(CCCc1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H32N2O5S/c1-37(35,36)31(19-11-14-22-12-5-2-6-13-22)25-20-26(29(33)34)30(21-25)28(32)27(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,12-13,15-18,25-27H,11,14,19-21H2,1H3,(H,33,34)/t25-,26-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318754
PNG
(Compound 96 (2S,4S)-1-(2,2-diphenylacetyl)-4-(3-ph...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C28H28N2O4/c31-25(17-16-20-10-4-1-5-11-20)29-23-18-24(28(33)34)30(19-23)27(32)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2,(H,29,31)(H,33,34)/t23-,24-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318768
PNG
((2S,4S)-1-(2-cyclohexyl-2-phenylacetyl)-4-(methyl(...)
Show SMILES CN(CCCc1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(C1CCCCC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H38N2O3/c1-30(19-11-14-22-12-5-2-6-13-22)25-20-26(29(33)34)31(21-25)28(32)27(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-3,5-8,12-13,15-16,24-27H,4,9-11,14,17-21H2,1H3,(H,33,34)/t25-,26-,27?/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318798
PNG
((1-((2R,3R)-2-(hydroxymethyl)-3-(3-phenylpropoxy)-...)
Show SMILES OC[C@@H]1[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C27H29NO3/c29-20-24-25(31-18-10-13-21-11-4-1-5-12-21)19-28(24)27(30)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-26,29H,10,13,18-20H2/t24-,25-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318802
PNG
( (2S,4S)1-(2,2-diphenylacetyl)-4-(methyl(3-phenylp...)
Show SMILES CN(CC#Cc1ccccc1)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H28N2O3/c1-30(19-11-14-22-12-5-2-6-13-22)25-20-26(29(33)34)31(21-25)28(32)27(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,12-13,15-18,25-27H,19-21H2,1H3,(H,33,34)/t25-,26-/m0/s1
PDB

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n/an/a 650n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318811
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(phenethylthio)py...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)SCCc1ccccc1
Show InChI InChI=1S/C27H27NO3S/c29-26(25(21-12-6-2-7-13-21)22-14-8-3-9-15-22)28-19-23(18-24(28)27(30)31)32-17-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2,(H,30,31)/t23-,24-/m0/s1
PDB

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n/an/a 652n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318819
PNG
( (S)-1-(2,2-diphenylacetyl)-4-(4-phenylbut-1-yn-1-...)
Show SMILES OC(=O)[C@@H]1C=C(CN1C(=O)C(c1ccccc1)c1ccccc1)C#CCCc1ccccc1
Show InChI InChI=1S/C29H25NO3/c31-28(27(24-16-6-2-7-17-24)25-18-8-3-9-19-25)30-21-23(20-26(30)29(32)33)15-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,16-20,26-27H,10,14,21H2,(H,32,33)/t26-/m0/s1
PDB

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n/an/a 674n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318779
PNG
((3S,3′S,5′S)-1-(2,2-diphenylacetyl)-3-...)
Show SMILES COC(=O)[C@@H]1CC(CN1C(=O)C(c1ccccc1)c1ccccc1)N1CC[C@H](C1)c1ccccc1
Show InChI InChI=1S/C30H32N2O3/c1-35-30(34)27-19-26(31-18-17-25(20-31)22-11-5-2-6-12-22)21-32(27)29(33)28(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25-28H,17-21H2,1H3/t25-,26?,27+/m1/s1
PDB

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n/an/a 817n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318813
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4((3-(4-fluoropheny...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)CCCc1ccc(F)cc1
Show InChI InChI=1S/C28H28FNO5S/c29-23-15-13-20(14-16-23)8-7-17-36(34,35)24-18-25(28(32)33)30(19-24)27(31)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-16,24-26H,7-8,17-19H2,(H,32,33)/t24-,25-/m0/s1
PDB

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n/an/a 954n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318820
PNG
( (2S,3S)-1-(2,2-diphenylacetyl)-3-(3-phenylpropoxy...)
Show SMILES OC(=O)[C@@H]1[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C27H27NO4/c29-26(24(21-14-6-2-7-15-21)22-16-8-3-9-17-22)28-19-23(25(28)27(30)31)32-18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,23-25H,10,13,18-19H2,(H,30,31)/t23-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318805
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((phenethylthio)m...)
Show SMILES OC(=O)[C@@H]1C[C@H](CSCCc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29NO3S/c30-27(26(23-12-6-2-7-13-23)24-14-8-3-9-15-24)29-19-22(18-25(29)28(31)32)20-33-17-16-21-10-4-1-5-11-21/h1-15,22,25-26H,16-20H2,(H,31,32)/t22-,25-/m0/s1
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318809
PNG
( (2S,4S)-1-(2,2-diphenylacetyl)-4-((3-phenylpropyl...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C28H29NO5S/c30-27(26(22-14-6-2-7-15-22)23-16-8-3-9-17-23)29-20-24(19-25(29)28(31)32)35(33,34)18-10-13-21-11-4-1-5-12-21/h1-9,11-12,14-17,24-26H,10,13,18-20H2,(H,31,32)/t24-,25-/m0/s1
PDB

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n/an/a 1.24E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318793
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(3-(4-fluoropheny...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccc(F)cc1
Show InChI InChI=1S/C28H28FNO4/c29-23-15-13-20(14-16-23)8-7-17-34-24-18-25(28(32)33)30(19-24)27(31)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-16,24-26H,7-8,17-19H2,(H,32,33)/t24-,25-/m0/s1
PDB

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n/an/a 1.32E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318773
PNG
( (2S,4S)-4-(2-benzylpiperidin-1-yl)-1-(2,2-dipheny...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C31H34N2O3/c34-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)33-22-27(21-28(33)31(35)36)32-19-11-10-18-26(32)20-23-12-4-1-5-13-23/h1-9,12-17,26-29H,10-11,18-22H2,(H,35,36)/t26?,27-,28-/m0/s1
PDB

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n/an/a 1.34E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318771
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(3-oxo-4-phenyl-2...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC2(CNC(=O)C2c2ccccc2)CC1
Show InChI InChI=1S/C33H35N3O4/c37-30-29(25-14-8-3-9-15-25)33(22-34-30)16-18-35(19-17-33)26-20-27(32(39)40)36(21-26)31(38)28(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-15,26-29H,16-22H2,(H,34,37)(H,39,40)/t26-,27-,29?/m0/s1
PDB

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n/an/a 1.61E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318755
PNG
(Compound 97 (2S,4S)-1-(2,2-diphenylacetyl)-4-(N-me...)
Show SMILES CN([C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C29H30N2O4/c1-30(26(32)18-17-21-11-5-2-6-12-21)24-19-25(29(34)35)31(20-24)28(33)27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-25,27H,17-20H2,1H3,(H,34,35)/t24-,25-/m0/s1
PDB

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n/an/a 1.66E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318812
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4((3-(4-fluoropheny...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)SCCCc1ccc(F)cc1
Show InChI InChI=1S/C28H28FNO3S/c29-23-15-13-20(14-16-23)8-7-17-34-24-18-25(28(32)33)30(19-24)27(31)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-16,24-26H,7-8,17-19H2,(H,32,33)/t24-,25-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318797
PNG
(1-((2R,3S)-2-(hydroxymethyl)-3-(3-phenylpropoxy)-a...)
Show SMILES OC[C@@H]1[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C27H29NO3/c29-20-24-25(31-18-10-13-21-11-4-1-5-12-21)19-28(24)27(30)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-26,29H,10,13,18-20H2/t24-,25+/m1/s1
PDB

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n/an/a 2.05E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318786
PNG
( (2S,4S)-1-(2,2-diphenylacetyl)-4-(3-phenylpropana...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C28H28N2O4/c31-25(17-16-20-10-4-1-5-11-20)29-23-18-24(28(33)34)30(19-23)27(32)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2,(H,29,31)(H,33,34)/t23-,24-/m0/s1
PDB

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n/an/a 2.25E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318756
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(phenethylamino)-...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C27H28N2O3/c30-26(25(21-12-6-2-7-13-21)22-14-8-3-9-15-22)29-19-23(18-24(29)27(31)32)28-17-16-20-10-4-1-5-11-20/h1-15,23-25,28H,16-19H2,(H,31,32)/t23-,24-/m0/s1
PDB

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n/an/a 2.26E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318794
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-((3-(4-methoxy-3-...)
Show SMILES COc1ccc(cc1C)C#CCN(C)[C@H]1C[C@H](N(C1)C(=O)C(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C31H32N2O4/c1-22-19-23(16-17-28(22)37-3)11-10-18-32(2)26-20-27(31(35)36)33(21-26)30(34)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-17,19,26-27,29H,18,20-21H2,1-3H3,(H,35,36)/t26-,27-/m0/s1
PDB

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n/an/a 2.49E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318818
PNG
( (S)-1-(2,2-diphenylacetyl)-4-(3-phenylthiophen-2-...)
Show SMILES OC(=O)[C@@H]1C=C(CN1C(=O)C(c1ccccc1)c1ccccc1)c1sccc1-c1ccccc1
Show InChI InChI=1S/C29H23NO3S/c31-28(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-19-23(18-25(30)29(32)33)27-24(16-17-34-27)20-10-4-1-5-11-20/h1-18,25-26H,19H2,(H,32,33)/t25-/m0/s1
PDB

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n/an/a 2.53E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318804
PNG
((2S,4S)-4-((phenylsulfonyl)methyl)-1-(diphenylacet...)
Show SMILES OC(=O)[C@@H]1C[C@H](CS(=O)(=O)c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO5S/c28-25(24(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-17-19(16-23(27)26(29)30)18-33(31,32)22-14-8-3-9-15-22/h1-15,19,23-24H,16-18H2,(H,29,30)/t19-,23-/m0/s1
PDB

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n/an/a 2.65E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318765
PNG
((2R,3R)-3-(3-phenylpropoxy)-1-(2,2-diphenylacetyl)...)
Show SMILES OC(=O)[C@H]1[C@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
Show InChI InChI=1S/C27H27NO4/c29-26(24(21-14-6-2-7-15-21)22-16-8-3-9-17-22)28-19-23(25(28)27(30)31)32-18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,23-25H,10,13,18-19H2,(H,30,31)/t23-,25+/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 3.05E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318770
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(3,3-diphenylurie...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H29N3O4/c36-30(29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)34-22-25(21-28(34)31(37)38)33-32(39)35(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,25,28-29H,21-22H2,(H,33,39)(H,37,38)/t25-,28-/m0/s1
PDB

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UniChem
US Patent
n/an/a 3.36E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318776
PNG
((2S,4S)-(N,N-dimethylsulfamoyl)-1-(2,2-diphenylace...)
Show SMILES CN(C)S(=O)(=O)NC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N(C)CCCc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN4O4S/c1-34(2)41(39,40)33-30(37)28-21-27(35(3)20-10-11-23-16-18-26(32)19-17-23)22-36(28)31(38)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-19,27-29H,10-11,20-22H2,1-3H3,(H,33,37)/t27-,28-/m0/s1
PDB

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US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318772
PNG
((3R,4S)-1-(2,2-diphenylacetyl)-4-(methyl(3-phenylp...)
Show SMILES CN(CCCc1ccccc1)[C@@H]1CN(C[C@H]1C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O3/c1-30(19-11-14-22-12-5-2-6-13-22)26-21-31(20-25(26)29(33)34)28(32)27(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,12-13,15-18,25-27H,11,14,19-21H2,1H3,(H,33,34)/t25-,26-/m1/s1
PDB

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US Patent
n/an/a 3.67E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318775
PNG
( (2S,4S)-1-(2,2-diphenylacetyl)-4-(1-oxo-3-phenyl-...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C(NC2=O)c1ccccc1
Show InChI InChI=1S/C32H33N3O4/c36-29(27(22-10-4-1-5-11-22)23-12-6-2-7-13-23)35-21-25(20-26(35)30(37)38)34-18-16-32(17-19-34)28(33-31(32)39)24-14-8-3-9-15-24/h1-15,25-28H,16-21H2,(H,33,39)(H,37,38)/t25-,26-,28?/m0/s1
PDB

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US Patent
n/an/a 3.83E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318749
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(((1R,2S)-2-pheny...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OC[C@@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C29H29NO4/c31-28(27(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-18-24(17-26(30)29(32)33)34-19-23-16-25(23)20-10-4-1-5-11-20/h1-15,23-27H,16-19H2,(H,32,33)/t23-,24-,25+,26-/m0/s1
PDB

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US Patent
n/an/a 3.97E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM318748
PNG
((2S,4S)-1-(2,2-diphenylacetyl)-4-(((1R,2R)-2-pheny...)
Show SMILES OC(=O)[C@@H]1C[C@@H](CN1C(=O)C(c1ccccc1)c1ccccc1)OC[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C29H29NO4/c31-28(27(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-18-24(17-26(30)29(32)33)34-19-23-16-25(23)20-10-4-1-5-11-20/h1-15,23-27H,16-19H2,(H,32,33)/t23-,24-,25-,26-/m0/s1
PDB

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US Patent
n/an/a 6.65E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%