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Compile Data Set for Download or QSAR

Found 332 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenylate cyclase


(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)
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)
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


(Rattus norvegicus)
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 32n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 697-703 (1982)


Article DOI: 10.1021/jm00348a017
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


(Rattus norvegicus)
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(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
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n/an/an/an/a 71n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 697-703 (1982)


Article DOI: 10.1021/jm00348a017
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


(Homo sapiens)
BDBM50052141
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-[2-...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCc2ccc(N)cc2)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C31H44N2O8/c1-8-28(5)17-22(36)31(38)29(6)21(35)13-15-27(3,4)24(29)23(25(39-18(2)34)30(31,7)41-28)40-26(37)33-16-14-19-9-11-20(32)12-10-19/h8-12,21,23-25,35,38H,1,13-17,32H2,2-7H3,(H,33,37)/t21-,23-,24-,25-,28-,29-,30+,31-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
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 500n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052140
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN2CCCCC2)[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/C30H48N2O8/c1-8-27(5)18-21(35)30(37)28(6)20(34)12-13-26(3,4)23(28)22(24(38-19(2)33)29(30,7)40-27)39-25(36)31-14-17-32-15-10-9-11-16-32/h8,20,22-24,34,37H,1,9-18H2,2-7H3,(H,31,36)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052150
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCO)[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/C25H39NO9/c1-8-22(5)13-16(30)25(32)23(6)15(29)9-10-21(3,4)18(23)17(34-20(31)26-11-12-27)19(33-14(2)28)24(25,7)35-22/h8,15,17-19,27,29,32H,1,9-13H2,2-7H3,(H,26,31)/t15-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052137
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCc2ccccn2)[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/C30H42N2O8/c1-8-27(5)17-21(35)30(37)28(6)20(34)12-14-26(3,4)23(28)22(24(38-18(2)33)29(30,7)40-27)39-25(36)32-16-13-19-11-9-10-15-31-19/h8-11,15,20,22-24,34,37H,1,12-14,16-17H2,2-7H3,(H,32,36)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50010274
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(2-...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C25H40N2O8/c1-8-22(5)13-16(30)25(32)23(6)15(29)9-10-21(3,4)18(23)17(34-20(31)27-12-11-26)19(33-14(2)28)24(25,7)35-22/h8,15,17-19,29,32H,1,9-13,26H2,2-7H3,(H,27,31)/t15-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
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


(Homo sapiens)
BDBM50010267
PNG
(CHEMBL92719 | [2-(4-Hydroxy-phenyl)-ethyl]-carbami...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(23(34)28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/an/a 630n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50010268
PNG
((2-Amino-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,10...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C23H38N2O7/c1-7-20(4)12-14(27)23(30)21(5)13(26)8-9-19(2,3)16(21)15(28)17(22(23,6)32-20)31-18(29)25-11-10-24/h7,13,15-17,26,28,30H,1,8-12,24H2,2-6H3,(H,25,29)/t13-,15-,16-,17-,20-,21-,22+,23-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052124
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES COCCNC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
Show InChI InChI=1S/C26H41NO9/c1-9-23(5)14-17(30)26(32)24(6)16(29)10-11-22(3,4)19(24)18(35-21(31)27-12-13-33-8)20(34-15(2)28)25(26,7)36-23/h9,16,18-20,29,32H,1,10-14H2,2-8H3,(H,27,31)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052117
PNG
(CHEMBL317534 | Cyclohexylmethyl-carbamic acid (3R,...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCC1CCCCC1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C28H45NO7/c1-7-25(4)15-19(31)28(34)26(5)18(30)13-14-24(2,3)21(26)20(22(32)27(28,6)36-25)35-23(33)29-16-17-11-9-8-10-12-17/h7,17-18,20-22,30,32,34H,1,8-16H2,2-6H3,(H,29,33)/t18-,20-,21-,22-,25-,26-,27+,28-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
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


(Homo sapiens)
BDBM50052130
PNG
((2-Pyridin-2-yl-ethyl)-carbamic acid (3R,4aR,5S,6S...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccccn1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C28H40N2O7/c1-7-25(4)16-19(32)28(35)26(5)18(31)11-13-24(2,3)21(26)20(33)22(27(28,6)37-25)36-23(34)30-15-12-17-10-8-9-14-29-17/h7-10,14,18,20-22,31,33,35H,1,11-13,15-16H2,2-6H3,(H,30,34)/t18-,20-,21-,22-,25-,26-,27+,28-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052143
PNG
(CHEMBL93242 | [2-(4-Amino-phenyl)-ethyl]-carbamic ...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccc(N)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H42N2O7/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(34)23(28(29,6)38-26)37-24(35)31-15-13-17-8-10-18(30)11-9-17/h7-11,19,21-23,32,34,36H,1,12-16,30H2,2-6H3,(H,31,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052129
PNG
(CHEMBL93259 | Phenethyl-carbamic acid (3R,4aR,5S,6...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccccc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO7/c1-7-26(4)17-20(32)29(35)27(5)19(31)13-15-25(2,3)22(27)21(23(33)28(29,6)37-26)36-24(34)30-16-14-18-11-9-8-10-12-18/h7-12,19,21-23,31,33,35H,1,13-17H2,2-6H3,(H,30,34)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052126
PNG
((2-Piperidin-1-yl-ethyl)-carbamic acid (3R,4aR,5S,...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN1CCCCC1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C28H46N2O7/c1-7-25(4)17-19(32)28(35)26(5)18(31)11-12-24(2,3)21(26)20(33)22(27(28,6)37-25)36-23(34)29-13-16-30-14-9-8-10-15-30/h7,18,20-22,31,33,35H,1,8-17H2,2-6H3,(H,29,34)/t18-,20-,21-,22-,25-,26-,27+,28-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052131
PNG
(CHEMBL93521 | Propyl-carbamic acid (3R,4aR,5S,6S,6...)
Show SMILES CCCNC(=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/C24H39NO7/c1-8-12-25-19(29)31-18-16(28)17-20(3,4)11-10-14(26)22(17,6)24(30)15(27)13-21(5,9-2)32-23(18,24)7/h9,14,16-18,26,28,30H,2,8,10-13H2,1,3-7H3,(H,25,29)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50010269
PNG
(CHEMBL327672 | [2-(4-Hydroxy-phenyl)-ethyl]-carbam...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(34)23(28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052142
PNG
((2-Hydroxy-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCO)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C23H37NO8/c1-7-20(4)12-14(27)23(30)21(5)13(26)8-9-19(2,3)16(21)15(28)17(22(23,6)32-20)31-18(29)24-10-11-25/h7,13,15-17,25-26,28,30H,1,8-12H2,2-6H3,(H,24,29)/t13-,15-,16-,17-,20-,21-,22+,23-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052123
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCc2ccccc2)[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/C31H43NO8/c1-8-28(5)18-22(35)31(37)29(6)21(34)14-16-27(3,4)24(29)23(25(38-19(2)33)30(31,7)40-28)39-26(36)32-17-15-20-12-10-9-11-13-20/h8-13,21,23-25,34,37H,1,14-18H2,2-7H3,(H,32,36)/t21-,23-,24-,25-,28-,29-,30+,31-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052113
PNG
((2-Methoxy-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,...)
Show SMILES COCCNC(=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/C24H39NO8/c1-8-21(4)13-15(27)24(30)22(5)14(26)9-10-20(2,3)17(22)16(28)18(23(24,6)33-21)32-19(29)25-11-12-31-7/h8,14,16-18,26,28,30H,1,9-13H2,2-7H3,(H,25,29)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052148
PNG
((2-Piperidin-1-yl-ethyl)-carbamic acid (3R,4aR,5S,...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCN1CCCCC1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C28H46N2O7/c1-7-25(4)17-19(32)28(35)26(5)18(31)11-12-24(2,3)21(26)20(22(33)27(28,6)37-25)36-23(34)29-13-16-30-14-9-8-10-15-30/h7,18,20-22,31,33,35H,1,8-17H2,2-6H3,(H,29,34)/t18-,20-,21-,22-,25-,26-,27+,28-/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052146
PNG
((2-Pyridin-2-yl-ethyl)-carbamic acid (3R,4aR,5S,6S...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccccn1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C28H40N2O7/c1-7-25(4)16-19(32)28(35)26(5)18(31)11-13-24(2,3)21(26)20(22(33)27(28,6)37-25)36-23(34)30-15-12-17-10-8-9-14-29-17/h7-10,14,18,20-22,31,33,35H,1,11-13,15-16H2,2-6H3,(H,30,34)/t18-,20-,21-,22-,25-,26-,27+,28-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052114
PNG
(CHEMBL93468 | Phenethyl-carbamic acid (3R,4aR,5S,6...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccccc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO7/c1-7-26(4)17-20(32)29(35)27(5)19(31)13-15-25(2,3)22(27)21(33)23(28(29,6)37-26)36-24(34)30-16-14-18-11-9-8-10-12-18/h7-12,19,21-23,31,33,35H,1,13-17H2,2-6H3,(H,30,34)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052138
PNG
(Allyl-carbamic acid (3R,4aR,5S,6S,6aS,10S,10aR,10b...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCC=C)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C24H37NO7/c1-8-12-25-19(29)31-18-16(28)17-20(3,4)11-10-14(26)22(17,6)24(30)15(27)13-21(5,9-2)32-23(18,24)7/h8-9,14,16-18,26,28,30H,1-2,10-13H2,3-7H3,(H,25,29)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052149
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-all...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCC=C)[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/C26H39NO8/c1-9-13-27-21(31)34-18-19-22(4,5)12-11-16(29)24(19,7)26(32)17(30)14-23(6,10-2)35-25(26,8)20(18)33-15(3)28/h9-10,16,18-20,29,32H,1-2,11-14H2,3-8H3,(H,27,31)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052133
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-cyc...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCC2CCCCC2)[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/C30H47NO8/c1-8-27(5)16-21(34)30(36)28(6)20(33)14-15-26(3,4)23(28)22(24(37-18(2)32)29(30,7)39-27)38-25(35)31-17-19-12-10-9-11-13-19/h8,19-20,22-24,33,36H,1,9-17H2,2-7H3,(H,31,35)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052145
PNG
(CHEMBL93252 | [2-(4-Amino-phenyl)-ethyl]-carbamic ...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccc(N)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H42N2O7/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(23(34)28(29,6)38-26)37-24(35)31-15-13-17-8-10-18(30)11-9-17/h7-11,19,21-23,32,34,36H,1,12-16,30H2,2-6H3,(H,31,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052121
PNG
(3-((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihy...)
Show SMILES CCOC(=O)CCNC(=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/C26H41NO9/c1-8-23(5)14-16(29)26(33)24(6)15(28)10-12-22(3,4)19(24)18(31)20(25(26,7)36-23)35-21(32)27-13-11-17(30)34-9-2/h8,15,18-20,28,31,33H,1,9-14H2,2-7H3,(H,27,32)/t15-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052122
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(C)CNC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
Show InChI InChI=1S/C27H43NO8/c1-10-24(7)13-18(31)27(33)25(8)17(30)11-12-23(5,6)20(25)19(35-22(32)28-14-15(2)3)21(34-16(4)29)26(27,9)36-24/h10,15,17,19-21,30,33H,1,11-14H2,2-9H3,(H,28,32)/t17-,19-,20-,21-,24-,25-,26+,27-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052139
PNG
(Allyl-carbamic acid (3R,4aR,5S,6S,6aS,10S,10aR,10b...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCC=C)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C24H37NO7/c1-8-12-25-19(29)31-16-17-20(3,4)11-10-14(26)22(17,6)24(30)15(27)13-21(5,9-2)32-23(24,7)18(16)28/h8-9,14,16-18,26,28,30H,1-2,10-13H2,3-7H3,(H,25,29)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)


Article DOI: 10.1021/jm960191+
BindingDB Entry DOI: 10.7270/Q2X34WJG
More data for this
Ligand-Target Pair
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