BDBM50249182 (1'S,2S,2'R,3R,3aS,6S,7aR,10'S,11'S)-2',3,6,16'-tetramethyl-3a,4,5,6,7,7a-hexahydro-3H-spiro[furo[3,2-b]pyridine-2,14'-tetracyclo[8.8.0.0^{2,7}.0^{11,17}]octadecane]-6',16'-dien-5'-one::(2S,3R,3aS,6S,6a'S,6b'S,7aR,12a'S,12b'R)-3,6,11',12b'-tetramethyl-3a,4,5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-hexadecahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulen]-3'(2'H)-one::(2S,3R,3aS,6S,6a'S,6b'S,7aR,12a'S,12b'R,Z)-3,6,11',12b'-tetramethyl-3a,4,5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-hexadecahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulen]-3'(2'H)-one::CHEMBL473393

SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1

InChI Key InChIKey=MQLNLMKPNAHPDZ-LLMUXGIESA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50249182   

TargetSonic hedgehog protein(Mus musculus (Mouse))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50249182((1'S,2S,2'R,3R,3aS,6S,7aR,10'S,11'S)-2',3,6,16'-te...)
Affinity DataEC50:  200nMAssay Description:Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed