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Compile Data Set for Download or QSAR

Found 148 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase type V'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenylate cyclase


(Homo sapiens (Human))
BDBM50051588
PNG
(CHEMBL429362 | His-Ser-Gln-thr-Phe-Thr-Ser-Asp-Tyr...)
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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)[C@H](C)O)[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(O)=O
Show InChI InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76-,77-,78+,88+,90-,91-,92-,93+,94-,95-,96-,97-,98-,99-,100+,101-,102+,103-,104-,105-,106+,107-,108+,109-,110-,111+,120-,121+,122+,123-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Ability of the Compound to activate Adenylate cyclase activity was measured by the conversion of [alpha-32P]ATP to 3'5'-cyclic AMP


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 V


(Rattus norvegicus)
BDBM50032518
PNG
((6aR,12bS)-3-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...)
Show SMILES CCCN1Cc2cc(C)ccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-3-8-22-12-15-9-13(2)4-6-16(15)21-17-11-20(24)19(23)10-14(17)5-7-18(21)22/h4,6,9-11,18,21,23-24H,3,5,7-8,12H2,1-2H3/t18-,21-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010684
PNG
((6aR,12bS)-6-Propyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES CCCN1Cc2ccccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20-/m1/s1
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n/an/an/an/a>10n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032519
PNG
((6aR,12bS)-2-Phenyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccc(cc4[C@@H]3c2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H21NO2/c25-21-11-16-8-9-20-23(19(16)12-22(21)26)18-10-15(6-7-17(18)13-24-20)14-4-2-1-3-5-14/h1-7,10-12,20,23-26H,8-9,13H2/t20-,23-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 51n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for effective dose agonist activity against adenylate cyclase in rat striatal membrane


J Med Chem 37: 2453-60 (1994)


Article DOI: 10.1021/jm00041a025
BindingDB Entry DOI: 10.7270/Q2KS6QKD
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound against adenylate cyclase


J Med Chem 37: 2453-60 (1994)


Article DOI: 10.1021/jm00041a025
BindingDB Entry DOI: 10.7270/Q2KS6QKD
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate Adenylate cyclase


J Med Chem 33: 2197-204 (1990)


Article DOI: 10.1021/jm00170a025
BindingDB Entry DOI: 10.7270/Q2TD9XZB
More data for this
Ligand-Target Pair
Adenylate cyclase type 8


(Homo sapiens (Human))
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/an/a 94n/an/an/an/a



Kunming Medical University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human AC8 expressed in human HEK293 cells assessed as fold increase in cAMP level by LANCE Ultra cAMP Detection kit m...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Adenylate cyclase type 8


(Homo sapiens (Human))
BDBM50537925
PNG
(CHEMBL4644318)
Show SMILES CCOC(=O)C1(Cc2ccc(Cl)cc2Cl)C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15Cl2NO3/c1-2-24-17(23)18(10-11-7-8-12(19)9-14(11)20)13-5-3-4-6-15(13)21-16(18)22/h3-9H,2,10H2,1H3,(H,21,22)
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n/an/an/an/a 105n/an/an/an/a



Kunming Medical University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human AC8 expressed in human HEK293 cells assessed as fold increase in cAMP level by LANCE Ultra cAMP Detection kit m...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032522
PNG
((6aR,12bS)-2-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C18H19NO2/c1-10-2-3-12-9-19-15-5-4-11-7-16(20)17(21)8-14(11)18(15)13(12)6-10/h2-3,6-8,15,18-21H,4-5,9H2,1H3/t15-,18-/m1/s1
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n/an/an/an/a 114n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032524
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...)
Show SMILES Oc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2c1
Show InChI InChI=1S/C17H17NO3/c19-11-2-3-12-10(5-11)8-18-14-4-1-9-6-15(20)16(21)7-13(9)17(12)14/h2-3,5-7,14,17-21H,1,4,8H2/t14-,17-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032520
PNG
((6aR,12bS)-3-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2c1
Show InChI InChI=1S/C18H19NO2/c1-10-2-4-13-12(6-10)9-19-15-5-3-11-7-16(20)17(21)8-14(11)18(13)15/h2,4,6-8,15,18-21H,3,5,9H2,1H3/t15-,18-/m1/s1
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n/an/an/an/a 134n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 141n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032521
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...)
Show SMILES Oc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C17H17NO3/c19-11-3-1-10-8-18-14-4-2-9-5-15(20)16(21)7-13(9)17(14)12(10)6-11/h1,3,5-7,14,17-21H,2,4,8H2/t14-,17-/m1/s1
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n/an/an/an/a 148n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032523
PNG
((6aR,12bS)-4-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1cccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H19NO2/c1-10-3-2-4-12-14(10)9-19-15-6-5-11-7-16(20)17(21)8-13(11)18(12)15/h2-4,7-8,15,18-21H,5-6,9H2,1H3/t15-,18-/m1/s1
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n/an/an/an/a 151n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50010714
PNG
(1-p-Tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,...)
Show SMILES Cc1ccc(cc1)[C@H]1CNCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C17H19NO2/c1-11-2-4-12(5-3-11)15-10-18-7-6-13-8-16(19)17(20)9-14(13)15/h2-5,8-9,15,18-20H,6-7,10H2,1H3/t15-/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate Adenylate cyclase


J Med Chem 33: 2197-204 (1990)


Article DOI: 10.1021/jm00170a025
BindingDB Entry DOI: 10.7270/Q2TD9XZB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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n/an/an/an/a 275n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032516
PNG
((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...)
Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1
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n/an/an/an/a 333n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/an/an/a 370n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032517
PNG
((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...)
Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1
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n/an/an/an/a 610n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050491
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[2-methyl-1-(2-...)
Show SMILES Cc1c(C(=O)c2ccc(N=C=S)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H25N3O2S/c1-19-26(27(31)22-10-11-24(28-18-33)21-7-3-2-6-20(21)22)23-8-4-5-9-25(23)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50090529
PNG
(2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octah...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCC2C1
Show InChI InChI=1S/C25H25N3O2S/c29-31(30,25-9-3-6-19-5-1-2-8-23(19)25)28-14-12-20-10-11-21(17-24(20)28)27-16-15-26-13-4-7-22(26)18-27/h1-3,5-6,8-12,14,17,22H,4,7,13,15-16,18H2
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n/an/a 7.20n/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound evaluated in adenylyl cyclase assay


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119855
PNG
(2-{[(1S,4R)-4-(6-amino-9H-purin-9-yl)cyclopent-2-e...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](OCC(=O)NO)C=C1
Show InChI InChI=1S/C12H14N6O3/c13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m0/s1
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n/an/a 1.16E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Type V Adenyl Cyclase enzyme


Bioorg Med Chem Lett 12: 3089-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00654-6
BindingDB Entry DOI: 10.7270/Q2T43SFX
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119858
PNG
(2-[(S)-3-((S)-6-Amino-purin-9-yl)-cyclopentyloxy]-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](C1)OCC(=O)NO
Show InChI InChI=1S/C12H16N6O3/c13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m1/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Type V Adenyl Cyclase enzyme


Bioorg Med Chem Lett 12: 3089-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00654-6
BindingDB Entry DOI: 10.7270/Q2T43SFX
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119854
PNG
(2-{[(1R,4S)-4-(6-amino-9H-purin-9-yl)cyclopent-2-e...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@@H](OCC(=O)NO)C=C1
Show InChI InChI=1S/C12H14N6O3/c13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m1/s1
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n/an/a 9.60E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Type V Adenyl Cyclase enzyme


Bioorg Med Chem Lett 12: 3089-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00654-6
BindingDB Entry DOI: 10.7270/Q2T43SFX
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119851
PNG
(2-[(R)-3-((R)-6-Amino-purin-9-yl)-cyclopentyloxy]-...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@H](C1)OCC(=O)NO
Show InChI InChI=1S/C12H16N6O3/c13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Type V Adenyl Cyclase enzyme


Bioorg Med Chem Lett 12: 3089-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00654-6
BindingDB Entry DOI: 10.7270/Q2T43SFX
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
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 (Human))
BDBM50051586
PNG
(CHEMBL413666 | [des-His1,Tyr5,Glu9,D-Tyr10]glucago...)
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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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](Cc1ccc(O)cc1)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/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
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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 (Human))
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
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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 (Human))
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
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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 (Human))
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


(Homo sapiens (Human))
BDBM50454201
PNG
(CHEMBL3037804)
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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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@H](C)c1ccccc1)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/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
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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 (Human))
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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 (Human))
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
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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


(Homo sapiens (Human))
BDBM50119820
PNG
(5-(6-Amino-purin-9-yl)-pentanoic acid | CHEMBL1016...)
Show SMILES Nc1ncnc2n(CCCCC(O)=O)cnc12
Show InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)4-2-1-3-7(16)17/h5-6H,1-4H2,(H,16,17)(H2,11,12,13)
PDB
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119821
PNG
(2-[3-(6-Amino-purin-9-yl)-propoxy]-N-hydroxy-aceta...)
Show SMILES Nc1ncnc2n(CCCOCC(=O)NO)cnc12
Show InChI InChI=1S/C10H14N6O3/c11-9-8-10(13-5-12-9)16(6-14-8)2-1-3-19-4-7(17)15-18/h5-6,18H,1-4H2,(H,15,17)(H2,11,12,13)
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n/an/a 9.40E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119822
PNG
(6-(6-Amino-purin-9-yl)-hexanoic acid ethyl ester |...)
Show SMILES CCOC(=O)CCCCCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N5O2/c1-2-20-10(19)6-4-3-5-7-18-9-17-11-12(14)15-8-16-13(11)18/h8-9H,2-7H2,1H3,(H2,14,15,16)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119823
PNG
(6-(6-Amino-purin-9-yl)-hexanoic acid | CHEMBL10302...)
Show SMILES Nc1ncnc2n(CCCCCC(O)=O)cnc12
Show InChI InChI=1S/C11H15N5O2/c12-10-9-11(14-6-13-10)16(7-15-9)5-3-1-2-4-8(17)18/h6-7H,1-5H2,(H,17,18)(H2,12,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119824
PNG
(CHEMBL322025 | [2-(6-Amino-purin-9-yl)-ethyl]-hydr...)
Show SMILES CC(C)(C)OC(=O)N(CCn1cnc2c(N)ncnc12)CC(=O)NO
Show InChI InChI=1S/C14H21N7O4/c1-14(2,3)25-13(23)20(6-9(22)19-24)4-5-21-8-18-10-11(15)16-7-17-12(10)21/h7-8,24H,4-6H2,1-3H3,(H,19,22)(H2,15,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119826
PNG
(5-(6-Amino-purin-9-yl)-pentanoic acid hydroxyamide...)
Show SMILES Nc1ncnc2n(CCCCC(=O)NO)cnc12
Show InChI InChI=1S/C10H14N6O2/c11-9-8-10(13-5-12-9)16(6-14-8)4-2-1-3-7(17)15-18/h5-6,18H,1-4H2,(H,15,17)(H2,11,12,13)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119825
PNG
(CHEMBL104972 | [3-(6-Amino-purin-9-yl)-propoxy]-ac...)
Show SMILES CCOC(=O)COCCCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N5O3/c1-2-20-9(18)6-19-5-3-4-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,2-6H2,1H3,(H2,13,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119827
PNG
(5-(6-Amino-purin-9-yl)-pentanoic acid methyl ester...)
Show SMILES COC(=O)CCCCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O2/c1-18-8(17)4-2-3-5-16-7-15-9-10(12)13-6-14-11(9)16/h6-7H,2-5H2,1H3,(H2,12,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119828
PNG
(3-(6-Amino-purin-9-yl)-N-hydroxy-propionamide | CH...)
Show SMILES Nc1ncnc2n(CCC(=O)NO)cnc12
Show InChI InChI=1S/C8H10N6O2/c9-7-6-8(11-3-10-7)14(4-12-6)2-1-5(15)13-16/h3-4,16H,1-2H2,(H,13,15)(H2,9,10,11)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119829
PNG
(CHEMBL104969 | [3-(6-Amino-purin-9-yl)-propoxy]-ac...)
Show SMILES Nc1ncnc2n(CCCOCC(O)=O)cnc12
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-5-12-9)15(6-14-8)2-1-3-18-4-7(16)17/h5-6H,1-4H2,(H,16,17)(H2,11,12,13)
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n/an/a 1.41E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119830
PNG
(CHEMBL322237 | [2-(6-Amino-purin-9-yl)-ethylamino]...)
Show SMILES COC(=O)CNCCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O2/c1-18-7(17)4-12-2-3-16-6-15-8-9(11)13-5-14-10(8)16/h5-6,12H,2-4H2,1H3,(H2,11,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119831
PNG
(7-(6-Amino-purin-9-yl)-heptanoic acid | CHEMBL1049...)
Show SMILES Nc1ncnc2n(CCCCCCC(O)=O)cnc12
Show InChI InChI=1S/C12H17N5O2/c13-11-10-12(15-7-14-11)17(8-16-10)6-4-2-1-3-5-9(18)19/h7-8H,1-6H2,(H,18,19)(H2,13,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119832
PNG
(4-(6-Amino-purin-9-yl)-N-hydroxy-butyramide | CHEM...)
Show SMILES Nc1ncnc2n(CCCC(=O)NO)cnc12
Show InChI InChI=1S/C9H12N6O2/c10-8-7-9(12-4-11-8)15(5-13-7)3-1-2-6(16)14-17/h4-5,17H,1-3H2,(H,14,16)(H2,10,11,12)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119834
PNG
(CHEMBL105760 | [3-(6-Amino-purin-9-yl)-propylamino...)
Show SMILES COC(=O)CNCCCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N6O2/c1-19-8(18)5-13-3-2-4-17-7-16-9-10(12)14-6-15-11(9)17/h6-7,13H,2-5H2,1H3,(H2,12,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens (Human))
BDBM50119833
PNG
(7-(6-Amino-purin-9-yl)-heptanoic acid hydroxyamide...)
Show SMILES Nc1ncnc2n(CCCCCCC(=O)NO)cnc12
Show InChI InChI=1S/C12H18N6O2/c13-11-10-12(15-7-14-11)18(8-16-10)6-4-2-1-3-5-9(19)17-20/h7-8,20H,1-6H2,(H,17,19)(H2,13,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells


Bioorg Med Chem Lett 12: 3085-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00653-4
BindingDB Entry DOI: 10.7270/Q2XW4J5B
More data for this
Ligand-Target Pair
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