Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase type 1' and Ligand = 'BDBM50052136'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenylate cyclase type 1 (Homo sapiens (Human))	BDBM50052136 (3-((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,1...) Show SMILES CCOC(=O)CCNC(=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/C28H43NO10/c1-9-25(6)15-18(32)28(35)26(7)17(31)11-13-24(4,5)21(26)20(22(37-16(3)30)27(28,8)39-25)38-23(34)29-14-12-19(33)36-10-2/h9,17,20-22,31,35H,1,10-15H2,2-8H3,(H,29,34)/t17-,20-,21-,22-,25-,26-,27+,28-/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	44	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 type 1 (Homo sapiens (Human))	BDBM50052136 (3-((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,1...) Show SMILES CCOC(=O)CCNC(=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/C28H43NO10/c1-9-25(6)15-18(32)28(35)26(7)17(31)11-13-24(4,5)21(26)20(22(37-16(3)30)27(28,8)39-25)38-23(34)29-14-12-19(33)36-10-2/h9,17,20-22,31,35H,1,10-15H2,2-8H3,(H,29,34)/t17-,20-,21-,22-,25-,26-,27+,28-/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 type 1 (Homo sapiens (Human))	BDBM50052136 (3-((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,1...) Show SMILES CCOC(=O)CCNC(=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/C28H43NO10/c1-9-25(6)15-18(32)28(35)26(7)17(31)11-13-24(4,5)21(26)20(22(37-16(3)30)27(28,8)39-25)38-23(34)29-14-12-19(33)36-10-2/h9,17,20-22,31,35H,1,10-15H2,2-8H3,(H,29,34)/t17-,20-,21-,22-,25-,26-,27+,28-/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	3.50E+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