BDBM50052134 Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(3,3-dimethyl-butylcarbamoyloxy)-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-dodecahydro-benzo[f]chromen-5-yl ester::CHEMBL93469

SMILES: CC(=O)O[C@H]1[C@@H](OC(=O)NCCC(C)(C)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

InChI Key: InChIKey=BEMYQDIZJDCLPJ-AGCSASOPSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50052134   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenylate cyclase (Homo sapiens (Human))	BDBM50052134 (Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(3,...) Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCC(C)(C)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/C29H47NO8/c1-11-26(8)16-19(33)29(35)27(9)18(32)12-13-25(6,7)21(27)20(22(36-17(2)31)28(29,10)38-26)37-23(34)30-15-14-24(3,4)5/h11,18,20-22,32,35H,1,12-16H2,2-10H3,(H,30,34)/t18-,20-,21-,22-,26-,27-,28+,29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/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))	BDBM50052134 (Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(3,...) Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCC(C)(C)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/C29H47NO8/c1-11-26(8)16-19(33)29(35)27(9)18(32)12-13-25(6,7)21(27)20(22(36-17(2)31)28(29,10)38-26)37-23(34)30-15-14-24(3,4)5/h11,18,20-22,32,35H,1,12-16H2,2-10H3,(H,30,34)/t18-,20-,21-,22-,26-,27-,28+,29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50052134 (Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(3,...) Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCC(C)(C)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/C29H47NO8/c1-11-26(8)16-19(33)29(35)27(9)18(32)12-13-25(6,7)21(27)20(22(36-17(2)31)28(29,10)38-26)37-23(34)30-15-14-24(3,4)5/h11,18,20-22,32,35H,1,12-16H2,2-10H3,(H,30,34)/t18-,20-,21-,22-,26-,27-,28+,29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50052134 (Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(3,...) Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCC(C)(C)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/C29H47NO8/c1-11-26(8)16-19(33)29(35)27(9)18(32)12-13-25(6,7)21(27)20(22(36-17(2)31)28(29,10)38-26)37-23(34)30-15-14-24(3,4)5/h11,18,20-22,32,35H,1,12-16H2,2-10H3,(H,30,34)/t18-,20-,21-,22-,26-,27-,28+,29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/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