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Compile Data Set for Download or QSAR

Found 113 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenylate cyclase


(Homo sapiens)
BDBM50051588
PNG
(CHEMBL429362 | His-Ser-Gln-thr-Phe-Thr-Ser-Asp-Tyr...)
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)
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)
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)
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)
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 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)
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)
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)
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)
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)
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)
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)
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)
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
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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)
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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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)
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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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)
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
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)
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


(Homo sapiens)
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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
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/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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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
Adenylate cyclase


(Homo sapiens)
BDBM50119835
PNG
(CHEMBL319262 | {[3-(6-Amino-purin-9-yl)-propyl]-te...)
Show SMILES CC(C)(C)OC(=O)N(CCCn1cnc2c(N)ncnc12)CC(O)=O
Show InChI InChI=1S/C15H22N6O4/c1-15(2,3)25-14(24)20(7-10(22)23)5-4-6-21-9-19-11-12(16)17-8-18-13(11)21/h8-9H,4-7H2,1-3H3,(H,22,23)(H2,16,17,18)
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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)
BDBM50119836
PNG
(CHEMBL105062 | {[2-(6-Amino-purin-9-yl)-ethyl]-met...)
Show SMILES COC(=O)CN(C)CCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N6O2/c1-16(5-8(18)19-2)3-4-17-7-15-9-10(12)13-6-14-11(9)17/h6-7H,3-5H2,1-2H3,(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
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