BDBM50052121 3-((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-dodecahydro-benzo[f]chromen-5-yloxycarbonylamino)-propionic acid ethyl ester::CHEMBL89962

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

InChI Key: InChIKey=ZIMFERCPRMHCGI-ZHIJWZGUSA-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 = 50052121   

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))	BDBM50052121 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>150	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))	BDBM50052121 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	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))	BDBM50052121 (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	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	3.60E+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
Adenylate cyclase (Homo sapiens (Human))	BDBM50052121 (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	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