BDBM50052124 Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-dihydroxy-6-(2-methoxy-ethylcarbamoyloxy)-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-dodecahydro-benzo[f]chromen-5-yl ester::CHEMBL92229

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

InChI Key: InChIKey=DIDPKRFZFROQIV-VYHDIKPLSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50052124   

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))	BDBM50052124 (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	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	700	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
Adenylate cyclase (Homo sapiens (Human))	BDBM50052124 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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