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Compile Data Set for Download or QSAR

Found 332 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase'   
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
Adenylate cyclase type I


(Bos taurus)
BDBM50010259
PNG
(Acetic acid 10,10b-dihydroxy-6-{2-[3-(4-hydroxy-ph...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCNC(=O)CCc2ccc(O)cc2)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C34H48N2O10/c1-8-31(5)19-24(40)34(43)32(6)23(39)15-16-30(3,4)27(32)26(28(44-20(2)37)33(34,7)46-31)45-29(42)36-18-17-35-25(41)14-11-21-9-12-22(38)13-10-21/h8-10,12-13,23,26-28,38-39,43H,1,11,14-19H2,2-7H3,(H,35,41)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 9n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010260
PNG
(CHEMBL107566 | [2-(2-Bromo-acetylamino)-ethyl]-car...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CBr)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C25H39BrN2O8/c1-7-22(4)12-15(30)25(34)23(5)14(29)8-9-21(2,3)18(23)17(32)19(24(25,6)36-22)35-20(33)28-11-10-27-16(31)13-26/h7,14,17-19,29,32,34H,1,8-13H2,2-6H3,(H,27,31)(H,28,33)/t14-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010270
PNG
(Acetic acid 6-[2-(2-bromo-acetylamino)-ethylcarbam...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCNC(=O)CBr)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C27H41BrN2O9/c1-8-24(5)13-17(33)27(36)25(6)16(32)9-10-23(3,4)20(25)19(21(37-15(2)31)26(27,7)39-24)38-22(35)30-12-11-29-18(34)14-28/h8,16,19-21,32,36H,1,9-14H2,2-7H3,(H,29,34)(H,30,35)/t16-,19-,20-,21-,24-,25-,26+,27-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010265
PNG
(CHEMBL327142 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(39)26(31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010261
PNG
((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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n/an/an/a 29n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010274
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(2-...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C25H40N2O8/c1-8-22(5)13-16(30)25(32)23(6)15(29)9-10-21(3,4)18(23)17(34-20(31)27-12-11-26)19(33-14(2)28)24(25,7)35-22/h8,15,17-19,29,32H,1,9-13,26H2,2-7H3,(H,27,31)/t15-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/a 34n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010273
PNG
(CHEMBL111738 | {7-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C37H56N2O9/c1-7-34(4)23-27(42)37(46)35(5)26(41)19-20-33(2,3)30(35)29(44)31(36(37,6)48-34)47-32(45)39-22-12-10-8-9-11-21-38-28(43)18-15-24-13-16-25(40)17-14-24/h7,13-14,16-17,26,29-31,40-41,44,46H,1,8-12,15,18-23H2,2-6H3,(H,38,43)(H,39,45)/t26-,29-,30-,31-,34-,35-,36+,37-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010271
PNG
(CHEMBL111425 | {4-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C34H50N2O9/c1-7-31(4)20-24(39)34(43)32(5)23(38)16-17-30(2,3)27(32)26(41)28(33(34,6)45-31)44-29(42)36-19-9-8-18-35-25(40)15-12-21-10-13-22(37)14-11-21/h7,10-11,13-14,23,26-28,37-38,41,43H,1,8-9,12,15-20H2,2-6H3,(H,35,40)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 60n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010269
PNG
(CHEMBL327672 | [2-(4-Hydroxy-phenyl)-ethyl]-carbam...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(34)23(28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010262
PNG
(CHEMBL326703 | {4-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C34H50N2O9/c1-7-31(4)20-24(39)34(43)32(5)23(38)16-17-30(2,3)27(32)26(28(41)33(34,6)45-31)44-29(42)36-19-9-8-18-35-25(40)15-12-21-10-13-22(37)14-11-21/h7,10-11,13-14,23,26-28,37-38,41,43H,1,8-9,12,15-20H2,2-6H3,(H,35,40)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 80n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010266
PNG
(CHEMBL324659 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(43)30(35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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n/an/an/a 82n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010272
PNG
(CHEMBL322952 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(30(43)35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010268
PNG
((2-Amino-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,10...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C23H38N2O7/c1-7-20(4)12-14(27)23(30)21(5)13(26)8-9-19(2,3)16(21)15(28)17(22(23,6)32-20)31-18(29)25-11-10-24/h7,13,15-17,26,28,30H,1,8-12,24H2,2-6H3,(H,25,29)/t13-,15-,16-,17-,20-,21-,22+,23-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010264
PNG
((2-Isothiocyanato-ethyl)-carbamic acid 6,10,10b-tr...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN=C=S)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C24H36N2O7S/c1-7-21(4)12-15(28)24(31)22(5)14(27)8-9-20(2,3)17(22)16(29)18(23(24,6)33-21)32-19(30)26-11-10-25-13-34/h7,14,16-18,27,29,31H,1,8-12H2,2-6H3,(H,26,30)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/a 110n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010263
PNG
(Acetic acid 10,10b-dihydroxy-6-(2-isothiocyanato-e...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN=C=S)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C26H38N2O8S/c1-8-23(5)13-17(31)26(33)24(6)16(30)9-10-22(3,4)19(24)18(35-21(32)28-12-11-27-14-37)20(34-15(2)29)25(26,7)36-23/h8,16,18-20,30,33H,1,9-13H2,2-7H3,(H,28,32)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/an/a 130n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50407844
PNG
(CHEMBL2115191)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C153H223N41O46S/c1-75(2)58-100(136(225)177-99(53-57-241-10)135(224)186-108(66-117(159)206)146(235)193-123(79(8)199)125(160)214)180-141(230)107(65-86-69-167-91-33-21-20-32-89(86)91)185-133(222)97(47-51-116(158)205)178-150(239)122(77(5)6)192-144(233)105(61-82-28-16-12-17-29-82)184-142(231)109(67-120(210)211)187-132(221)96(46-50-115(157)204)171-126(215)78(7)169-129(218)93(35-24-55-165-152(161)162)173-130(219)94(36-25-56-166-153(163)164)175-148(237)112(73-197)190-143(232)110(68-121(212)213)188-137(226)101(59-76(3)4)179-139(228)104(64-85-39-43-88(202)44-40-85)181-131(220)92(34-22-23-54-154)174-147(236)111(72-196)189-140(229)103(60-81-26-14-11-15-27-81)182-134(223)98(48-52-119(208)209)176-149(238)113(74-198)191-151(240)124(80(9)200)194-145(234)106(62-83-30-18-13-19-31-83)183-138(227)102(63-84-37-41-87(201)42-38-84)170-118(207)70-168-128(217)95(45-49-114(156)203)172-127(216)90(155)71-195/h11-21,26-33,37-44,69,75-80,90,92-113,122-124,167,195-202H,22-25,34-36,45-68,70-74,154-155H2,1-10H3,(H2,156,203)(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,214)(H,168,217)(H,169,218)(H,170,207)(H,171,215)(H,172,216)(H,173,219)(H,174,236)(H,175,237)(H,176,238)(H,177,225)(H,178,239)(H,179,228)(H,180,230)(H,181,220)(H,182,223)(H,183,227)(H,184,231)(H,185,222)(H,186,224)(H,187,221)(H,188,226)(H,189,229)(H,190,232)(H,191,240)(H,192,233)(H,193,235)(H,194,234)(H,208,209)(H,210,211)(H,212,213)(H4,161,162,165)(H4,163,164,166)/t78-,79+,80+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 141n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010275
PNG
(CHEMBL324463 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(26(39)31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 174n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase type I


(Bos taurus)
BDBM50010267
PNG
(CHEMBL92719 | [2-(4-Hydroxy-phenyl)-ethyl]-carbami...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(23(34)28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 236n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


J Med Chem 34: 3204-12 (1991)


Article DOI: 10.1021/jm00115a009
BindingDB Entry DOI: 10.7270/Q20C4TRQ
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50051586
PNG
(CHEMBL413666 | [des-His1,Tyr5,Glu9,D-Tyr10]glucago...)
Show InChI InChI=1S/C153H223N41O47S/c1-74(2)57-100(136(226)177-99(52-56-242-10)135(225)186-108(65-117(159)207)146(236)193-123(78(8)199)125(160)215)180-141(231)107(64-85-68-167-91-28-18-17-27-89(85)91)185-133(223)97(46-50-116(158)206)178-150(240)122(76(5)6)192-144(234)105(59-80-23-13-11-14-24-80)184-142(232)109(66-120(211)212)187-132(222)96(45-49-115(157)205)171-126(216)77(7)169-129(219)93(30-21-54-165-152(161)162)173-130(220)94(31-22-55-166-153(163)164)175-148(238)112(72-197)190-143(233)110(67-121(213)214)188-137(227)101(58-75(3)4)179-139(229)103(62-83-34-40-87(202)41-35-83)181-131(221)92(29-19-20-53-154)174-147(237)111(71-196)189-140(230)104(63-84-36-42-88(203)43-37-84)182-134(224)98(47-51-119(209)210)176-149(239)113(73-198)191-151(241)124(79(9)200)194-145(235)106(60-81-25-15-12-16-26-81)183-138(228)102(61-82-32-38-86(201)39-33-82)170-118(208)69-168-128(218)95(44-48-114(156)204)172-127(217)90(155)70-195/h11-18,23-28,32-43,68,74-79,90,92-113,122-124,167,195-203H,19-22,29-31,44-67,69-73,154-155H2,1-10H3,(H2,156,204)(H2,157,205)(H2,158,206)(H2,159,207)(H2,160,215)(H,168,218)(H,169,219)(H,170,208)(H,171,216)(H,172,217)(H,173,220)(H,174,237)(H,175,238)(H,176,239)(H,177,226)(H,178,240)(H,179,229)(H,180,231)(H,181,221)(H,182,224)(H,183,228)(H,184,232)(H,185,223)(H,186,225)(H,187,222)(H,188,227)(H,189,230)(H,190,233)(H,191,241)(H,192,234)(H,193,236)(H,194,235)(H,209,210)(H,211,212)(H,213,214)(H4,161,162,165)(H4,163,164,166)/t77-,78+,79+,90-,92-,93-,94-,95-,96-,97-,98+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 251n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50051585
PNG
(CHEMBL2369127 | [des-His1,Tyr5,Glu9,(2S,3R)-beta-M...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)c1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C153H223N41O47S/c1-74(2)57-100(136(226)177-99(52-56-242-10)135(225)186-108(65-117(159)207)146(236)193-123(78(8)199)125(160)215)180-141(231)107(64-85-68-167-91-28-18-17-27-89(85)91)185-133(223)97(46-50-116(158)206)178-150(240)122(76(5)6)192-144(234)105(59-80-23-13-11-14-24-80)184-142(232)109(66-120(211)212)187-132(222)96(45-49-115(157)205)171-126(216)77(7)169-129(219)93(30-21-54-165-152(161)162)173-130(220)94(31-22-55-166-153(163)164)175-148(238)112(72-197)190-143(233)110(67-121(213)214)188-137(227)101(58-75(3)4)179-139(229)103(62-83-34-40-87(202)41-35-83)181-131(221)92(29-19-20-53-154)174-147(237)111(71-196)189-140(230)104(63-84-36-42-88(203)43-37-84)182-134(224)98(47-51-119(209)210)176-149(239)113(73-198)191-151(241)124(79(9)200)194-145(235)106(60-81-25-15-12-16-26-81)183-138(228)102(61-82-32-38-86(201)39-33-82)170-118(208)69-168-128(218)95(44-48-114(156)204)172-127(217)90(155)70-195/h11-18,23-28,32-43,68,74-79,90,92-113,122-124,167,195-203H,19-22,29-31,44-67,69-73,154-155H2,1-10H3,(H2,156,204)(H2,157,205)(H2,158,206)(H2,159,207)(H2,160,215)(H,168,218)(H,169,219)(H,170,208)(H,171,216)(H,172,217)(H,173,220)(H,174,237)(H,175,238)(H,176,239)(H,177,226)(H,178,240)(H,179,229)(H,180,231)(H,181,221)(H,182,224)(H,183,228)(H,184,232)(H,185,223)(H,186,225)(H,187,222)(H,188,227)(H,189,230)(H,190,233)(H,191,241)(H,192,234)(H,193,236)(H,194,235)(H,209,210)(H,211,212)(H,213,214)(H4,161,162,165)(H4,163,164,166)/t77-,78+,79+,90-,92-,93-,94-,95-,96-,97-,98+,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 316n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50407843
PNG
(CHEMBL2114177)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C147H219N41O46S/c1-70(2)54-95(131(220)172-94(49-53-235-11)130(219)180-102(61-111(153)200)140(229)187-117(75(9)193)119(154)208)175-135(224)101(60-81-64-161-86-29-19-18-28-84(81)86)179-129(218)92(43-47-110(152)199)173-144(233)116(72(5)6)186-138(227)99(56-77-24-14-12-15-25-77)178-136(225)103(62-114(204)205)181-128(217)91(42-46-109(151)198)166-120(209)73(7)163-124(213)88(31-22-51-159-146(155)156)168-126(215)89(32-23-52-160-147(157)158)170-142(231)106(68-191)184-137(226)104(63-115(206)207)182-132(221)96(55-71(3)4)174-134(223)98(59-80-35-39-83(196)40-36-80)176-127(216)87(30-20-21-50-148)169-141(230)105(67-190)183-121(210)74(8)164-125(214)93(44-48-113(202)203)171-143(232)107(69-192)185-145(234)118(76(10)194)188-139(228)100(57-78-26-16-13-17-27-78)177-133(222)97(58-79-33-37-82(195)38-34-79)165-112(201)65-162-123(212)90(41-45-108(150)197)167-122(211)85(149)66-189/h12-19,24-29,33-40,64,70-76,85,87-107,116-118,161,189-196H,20-23,30-32,41-63,65-69,148-149H2,1-11H3,(H2,150,197)(H2,151,198)(H2,152,199)(H2,153,200)(H2,154,208)(H,162,212)(H,163,213)(H,164,214)(H,165,201)(H,166,209)(H,167,211)(H,168,215)(H,169,230)(H,170,231)(H,171,232)(H,172,220)(H,173,233)(H,174,223)(H,175,224)(H,176,216)(H,177,222)(H,178,225)(H,179,218)(H,180,219)(H,181,217)(H,182,221)(H,183,210)(H,184,226)(H,185,234)(H,186,227)(H,187,229)(H,188,228)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,159)(H4,157,158,160)/t73-,74+,75+,76+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 631n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50454201
PNG
(CHEMBL3037804)
Show InChI InChI=1S/C154H225N41O46S/c1-75(2)59-101(137(226)178-100(54-58-242-11)135(224)186-108(66-117(160)207)146(235)194-124(80(9)200)126(161)215)181-141(230)107(65-87-69-168-92-34-22-21-33-90(87)92)185-134(223)98(48-52-116(159)206)179-150(239)122(77(5)6)192-144(233)105(61-82-27-15-12-16-28-82)184-142(231)109(67-120(211)212)187-133(222)97(47-51-115(158)205)172-127(216)79(8)170-130(219)94(36-25-56-166-153(162)163)174-131(220)95(37-26-57-167-154(164)165)176-147(236)111(72-197)189-143(232)110(68-121(213)214)188-138(227)102(60-76(3)4)180-140(229)104(64-85-40-44-89(203)45-41-85)182-132(221)93(35-23-24-55-155)175-148(237)112(73-198)190-151(240)123(78(7)86-31-19-14-20-32-86)193-136(225)99(49-53-119(209)210)177-149(238)113(74-199)191-152(241)125(81(10)201)195-145(234)106(62-83-29-17-13-18-30-83)183-139(228)103(63-84-38-42-88(202)43-39-84)171-118(208)70-169-129(218)96(46-50-114(157)204)173-128(217)91(156)71-196/h12-22,27-34,38-45,69,75-81,91,93-113,122-125,168,196-203H,23-26,35-37,46-68,70-74,155-156H2,1-11H3,(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,207)(H2,161,215)(H,169,218)(H,170,219)(H,171,208)(H,172,216)(H,173,217)(H,174,220)(H,175,237)(H,176,236)(H,177,238)(H,178,226)(H,179,239)(H,180,229)(H,181,230)(H,182,221)(H,183,228)(H,184,231)(H,185,223)(H,186,224)(H,187,222)(H,188,227)(H,189,232)(H,190,240)(H,191,241)(H,192,233)(H,193,225)(H,194,235)(H,195,234)(H,209,210)(H,211,212)(H,213,214)(H4,162,163,166)(H4,164,165,167)/t78-,79+,80-,81-,91+,93+,94+,95+,96+,97+,98+,99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,122+,123+,124+,125+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 631n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50407842
PNG
(CHEMBL2114176)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C153H223N41O46S/c1-75(2)58-100(136(225)177-99(53-57-241-10)135(224)186-108(66-117(159)206)146(235)193-123(79(8)199)125(160)214)180-141(230)107(65-86-69-167-91-33-21-20-32-89(86)91)185-133(222)97(47-51-116(158)205)178-150(239)122(77(5)6)192-144(233)105(61-82-28-16-12-17-29-82)184-142(231)109(67-120(210)211)187-132(221)96(46-50-115(157)204)171-126(215)78(7)169-129(218)93(35-24-55-165-152(161)162)173-130(219)94(36-25-56-166-153(163)164)175-148(237)112(73-197)190-143(232)110(68-121(212)213)188-137(226)101(59-76(3)4)179-139(228)104(64-85-39-43-88(202)44-40-85)181-131(220)92(34-22-23-54-154)174-147(236)111(72-196)189-140(229)103(60-81-26-14-11-15-27-81)182-134(223)98(48-52-119(208)209)176-149(238)113(74-198)191-151(240)124(80(9)200)194-145(234)106(62-83-30-18-13-19-31-83)183-138(227)102(63-84-37-41-87(201)42-38-84)170-118(207)70-168-128(217)95(45-49-114(156)203)172-127(216)90(155)71-195/h11-21,26-33,37-44,69,75-80,90,92-113,122-124,167,195-202H,22-25,34-36,45-68,70-74,154-155H2,1-10H3,(H2,156,203)(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,214)(H,168,217)(H,169,218)(H,170,207)(H,171,215)(H,172,216)(H,173,219)(H,174,236)(H,175,237)(H,176,238)(H,177,225)(H,178,239)(H,179,228)(H,180,230)(H,181,220)(H,182,223)(H,183,227)(H,184,231)(H,185,222)(H,186,224)(H,187,221)(H,188,226)(H,189,229)(H,190,232)(H,191,240)(H,192,233)(H,193,235)(H,194,234)(H,208,209)(H,210,211)(H,212,213)(H4,161,162,165)(H4,163,164,166)/t78-,79+,80+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
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n/an/an/a 631n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50032172
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30-,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/an/a 794n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50407841
PNG
(CHEMBL2115192)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C147H219N41O46S/c1-70(2)54-95(131(220)172-94(49-53-235-11)130(219)180-102(61-111(153)200)140(229)187-117(75(9)193)119(154)208)175-135(224)101(60-81-64-161-86-29-19-18-28-84(81)86)179-129(218)92(43-47-110(152)199)173-144(233)116(72(5)6)186-138(227)99(56-77-24-14-12-15-25-77)178-136(225)103(62-114(204)205)181-128(217)91(42-46-109(151)198)166-120(209)73(7)163-124(213)88(31-22-51-159-146(155)156)168-126(215)89(32-23-52-160-147(157)158)170-142(231)106(68-191)184-137(226)104(63-115(206)207)182-132(221)96(55-71(3)4)174-134(223)98(59-80-35-39-83(196)40-36-80)176-127(216)87(30-20-21-50-148)169-141(230)105(67-190)183-121(210)74(8)164-125(214)93(44-48-113(202)203)171-143(232)107(69-192)185-145(234)118(76(10)194)188-139(228)100(57-78-26-16-13-17-27-78)177-133(222)97(58-79-33-37-82(195)38-34-79)165-112(201)65-162-123(212)90(41-45-108(150)197)167-122(211)85(149)66-189/h12-19,24-29,33-40,64,70-76,85,87-107,116-118,161,189-196H,20-23,30-32,41-63,65-69,148-149H2,1-11H3,(H2,150,197)(H2,151,198)(H2,152,199)(H2,153,200)(H2,154,208)(H,162,212)(H,163,213)(H,164,214)(H,165,201)(H,166,209)(H,167,211)(H,168,215)(H,169,230)(H,170,231)(H,171,232)(H,172,220)(H,173,233)(H,174,223)(H,175,224)(H,176,216)(H,177,222)(H,178,225)(H,179,218)(H,180,219)(H,181,217)(H,182,221)(H,183,210)(H,184,226)(H,185,234)(H,186,227)(H,187,229)(H,188,228)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,159)(H4,157,158,160)/t73-,74-,75+,76+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-/m0/s1
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n/an/an/a 1.41E+3n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
pA2 value was calculated from dose-response plots generated by using different concentrations ranging between 1 and 10 uM antagonist.


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226415
PNG
(CHEMBL3142312)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C57H87N15O10S2/c1-4-82-38-24-22-35(23-25-38)29-41-50(77)69-42(28-34-14-6-5-7-15-34)52(79)72-47(33(2)3)54(81)70-43(30-45(58)73)51(78)71-44(32-83-84-57(31-46(74)66-41,36-16-8-9-17-36)37-18-10-11-19-37)53(80)68-40(21-13-27-65-56(62)63)49(76)67-39(48(59)75)20-12-26-64-55(60)61/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,58,73)(H2,59,75)(H,66,74)(H,67,76)(H,68,80)(H,69,77)(H,70,81)(H,71,78)(H,72,79)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41+,42+,43+,44+,47+/m1/s1
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0.880n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226410
PNG
(CHEMBL3142318)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C57H87N15O10S2/c1-4-82-38-24-22-35(23-25-38)29-41-50(77)69-42(28-34-14-6-5-7-15-34)52(79)72-47(33(2)3)54(81)70-43(30-45(58)73)51(78)71-44(32-83-84-57(31-46(74)66-41,36-16-8-9-17-36)37-18-10-11-19-37)53(80)68-40(21-13-27-65-56(62)63)49(76)67-39(48(59)75)20-12-26-64-55(60)61/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,58,73)(H2,59,75)(H,66,74)(H,67,76)(H,68,80)(H,69,77)(H,70,81)(H,71,78)(H,72,79)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,47-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226412
PNG
(CHEMBL3142332)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C57H87N15O10S2/c1-4-82-38-24-22-35(23-25-38)29-41-50(77)69-42(28-34-14-6-5-7-15-34)52(79)72-47(33(2)3)54(81)70-43(30-45(58)73)51(78)71-44(32-83-84-57(31-46(74)66-41,36-16-8-9-17-36)37-18-10-11-19-37)53(80)68-40(21-13-27-65-56(62)63)49(76)67-39(48(59)75)20-12-26-64-55(60)61/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,58,73)(H2,59,75)(H,66,74)(H,67,76)(H,68,80)(H,69,77)(H,70,81)(H,71,78)(H,72,79)(H4,60,61,64)(H4,62,63,65)/t39-,40+,41+,42+,43+,44+,47+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226411
PNG
(CHEMBL3142329)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C57H87N15O10S2/c1-4-82-38-24-22-35(23-25-38)29-41-50(77)69-42(28-34-14-6-5-7-15-34)52(79)72-47(33(2)3)54(81)70-43(30-45(58)73)51(78)71-44(32-83-84-57(31-46(74)66-41,36-16-8-9-17-36)37-18-10-11-19-37)53(80)68-40(21-13-27-65-56(62)63)49(76)67-39(48(59)75)20-12-26-64-55(60)61/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,58,73)(H2,59,75)(H,66,74)(H,67,76)(H,68,80)(H,69,77)(H,70,81)(H,71,78)(H,72,79)(H4,60,61,64)(H4,62,63,65)/t39-,40+,41-,42-,43-,44-,47-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226417
PNG
(CHEMBL3142331)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C51H75N11O9S2/c1-4-71-35-22-20-32(21-23-35)26-37-45(66)59-38(25-31-13-6-5-7-14-31)47(68)62-43(30(2)3)49(70)60-39(27-41(52)63)46(67)61-40(48(69)58-36(44(53)65)19-12-24-56-50(54)55)29-72-73-51(28-42(64)57-37,33-15-8-9-16-33)34-17-10-11-18-34/h5-7,13-14,20-23,30,33-34,36-40,43H,4,8-12,15-19,24-29H2,1-3H3,(H2,52,63)(H2,53,65)(H,57,64)(H,58,69)(H,59,66)(H,60,70)(H,61,67)(H,62,68)(H4,54,55,56)/t36-,37-,38-,39-,40-,43-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226413
PNG
(CHEMBL2369777)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C57H87N13O10S2/c1-4-80-39-25-23-36(24-26-39)30-42-51(75)67-43(29-35-15-6-5-7-16-35)53(77)70-48(34(2)3)55(79)68-44(31-46(59)71)52(76)69-45(33-81-82-57(32-47(72)64-42,37-17-8-9-18-37)38-19-10-11-20-38)54(78)66-41(22-14-28-63-56(61)62)50(74)65-40(49(60)73)21-12-13-27-58/h5-7,15-16,23-26,34,37-38,40-45,48H,4,8-14,17-22,27-33,58H2,1-3H3,(H2,59,71)(H2,60,73)(H,64,72)(H,65,74)(H,66,78)(H,67,75)(H,68,79)(H,69,76)(H,70,77)(H4,61,62,63)/t40-,41-,42+,43-,44-,45-,48-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM50010709
PNG
(5-Benzofuran-7-yl-8-chloro-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc2ccoc12
Show InChI InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226416
PNG
(CHEMBL2369525)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C56H82N12O10S2/c1-4-78-38-24-22-35(23-25-38)29-40-49(72)64-41(28-34-14-6-5-7-15-34)51(74)67-47(33(2)3)53(76)65-42(30-45(57)69)50(73)66-43(32-79-80-56(31-46(70)62-40,36-16-8-9-17-36)37-18-10-11-19-37)54(77)68-27-13-21-44(68)52(75)63-39(48(58)71)20-12-26-61-55(59)60/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,57,69)(H2,58,71)(H,62,70)(H,63,75)(H,64,72)(H,65,76)(H,66,73)(H,67,74)(H4,59,60,61)/t39-,40+,41-,42-,43-,44-,47-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226414
PNG
(CHEMBL2369778)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C57H87N13O10S2/c1-4-80-39-25-23-36(24-26-39)30-42-51(75)67-43(29-35-15-6-5-7-16-35)53(77)70-48(34(2)3)55(79)68-44(31-46(59)71)52(76)69-45(33-81-82-57(32-47(72)64-42,37-17-8-9-18-37)38-19-10-11-20-38)54(78)66-41(21-12-13-27-58)50(74)65-40(49(60)73)22-14-28-63-56(61)62/h5-7,15-16,23-26,34,37-38,40-45,48H,4,8-14,17-22,27-33,58H2,1-3H3,(H2,59,71)(H2,60,73)(H,64,72)(H,65,74)(H,66,78)(H,67,75)(H,68,79)(H,69,76)(H,70,77)(H4,61,62,63)/t40-,41-,42+,43-,44-,45-,48-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens)
BDBM50226418
PNG
(CHEMBL3142313)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C57H86N14O11S2/c1-4-82-38-24-22-35(23-25-38)29-41-49(75)68-42(28-34-14-6-5-7-15-34)51(77)71-47(33(2)3)53(79)69-43(30-45(58)72)50(76)70-44(32-83-84-57(31-46(73)65-41,36-16-8-9-17-36)37-18-10-11-19-37)52(78)66-39(20-12-26-63-55(59)60)48(74)67-40(54(80)81)21-13-27-64-56(61)62/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,58,72)(H,65,73)(H,66,78)(H,67,74)(H,68,75)(H,69,79)(H,70,76)(H,71,77)(H,80,81)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,47-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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9.10n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144001
PNG
(3-{4-[1-(2',4'-Dichloro-biphenyl-4-ylcarbamoyl)-he...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2N2O5/c1-2-3-4-5-6-27(39-24-14-9-21(10-15-24)29(37)33-18-17-28(35)36)30(38)34-23-12-7-20(8-13-23)25-16-11-22(31)19-26(25)32/h7-16,19,27H,2-6,17-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144020
PNG
(3-{4-[1-(4-Benzofuran-2-yl-phenylcarbamoyl)-heptyl...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C32H34N2O6/c1-2-3-4-5-10-28(39-26-17-13-23(14-18-26)31(37)33-20-19-30(35)36)32(38)34-25-15-11-22(12-16-25)29-21-24-8-6-7-9-27(24)40-29/h6-9,11-18,21,28H,2-5,10,19-20H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144015
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-octyl]...)
Show SMILES CCCCCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C33H36N2O5/c1-2-3-4-5-9-27(21-23-11-13-25(14-12-23)32(38)34-20-19-31(36)37)33(39)35-28-17-15-24(16-18-28)30-22-26-8-6-7-10-29(26)40-30/h6-8,10-18,22,27H,2-5,9,19-21H2,1H3,(H,34,38)(H,35,39)(H,36,37)
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM50222264
PNG
(CHEMBL552736)
Show SMILES Br.CN1CCc2cc(O)c(O)c(Sc3ccccc3)c2CC1
Show InChI InChI=1S/C17H19NO2S.BrH/c1-18-9-7-12-11-15(19)16(20)17(14(12)8-10-18)21-13-5-3-2-4-6-13;/h2-6,11,19-20H,7-10H2,1H3;1H
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine sensitive adenylate cyclase in rats


J Med Chem 23: 975-6 (1980)


Article DOI: 10.1021/jm00183a002
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144002
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(2',4'-dichloro-bi...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C35H34Cl2N2O4/c1-35(2,3)26-12-8-24(9-13-26)30(20-22-4-6-25(7-5-22)33(42)38-19-18-32(40)41)34(43)39-28-15-10-23(11-16-28)29-17-14-27(36)21-31(29)37/h4-17,21,30H,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM50222266
PNG
(CHEMBL369006)
Show SMILES CN1CCc2c(Cl)c(O)c(O)c(Sc3ccccc3)c2CC1
Show InChI InChI=1S/C17H18ClNO2S/c1-19-9-7-12-13(8-10-19)17(16(21)15(20)14(12)18)22-11-5-3-2-4-6-11/h2-6,20-21H,7-10H2,1H3
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine sensitive adenylate cyclase in rats


J Med Chem 23: 975-6 (1980)


Article DOI: 10.1021/jm00183a002
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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39.9n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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69n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced monkey adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144003
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-trifluoromethox...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H31F3N2O5/c1-29(2,3)22-10-8-20(9-11-22)25(28(39)35-23-12-14-24(15-13-23)40-30(31,32)33)18-19-4-6-21(7-5-19)27(38)34-17-16-26(36)37/h4-15,25H,16-18H2,1-3H3,(H,34,38)(H,35,39)(H,36,37)
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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118n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine sensitive adenylate cyclase in rats


J Med Chem 23: 975-6 (1980)


Article DOI: 10.1021/jm00183a002
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144016
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O5/c1-34(2,3)27-15-9-25(10-16-27)31(41-29-19-13-26(14-20-29)32(39)35-22-21-30(37)38)33(40)36-28-17-11-24(12-18-28)23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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144n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM50222265
PNG
(CHEMBL541633)
Show SMILES Br.Oc1cc2CCNCCc2c(Sc2ccccc2)c1O
Show InChI InChI=1S/C16H17NO2S.BrH/c18-14-10-11-6-8-17-9-7-13(11)16(15(14)19)20-12-4-2-1-3-5-12;/h1-5,10,17-19H,6-9H2;1H
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine sensitive adenylate cyclase in rats


J Med Chem 23: 975-6 (1980)


Article DOI: 10.1021/jm00183a002
More data for this
Ligand-Target Pair
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