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BDBM50052145 CHEMBL93252::[2-(4-Amino-phenyl)-ethyl]-carbamic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-dodecahydro-benzo[f]chromen-6-yl ester

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

InChI Key: InChIKey=MLSRCZVEQHUNSA-JTOWCYLCSA-N

Data: 2 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50052145   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenylate cyclase


(Homo sapiens (Human))
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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PC cid
PC sid
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Article
PubMed
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 (Human))
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
NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 5.10E+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 (Human))
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
NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 162n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to 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 (Human))
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
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>150n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to 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