BDBM50421170 CHEMBL2086775::CHEMBL2086786

SMILES: CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=GTPMKIMWTOQDDD-FLVCZDKCSA-N

Data: 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 2 hits for monomerid = 50421170   

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
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50421170 (CHEMBL2086775 | CHEMBL2086786) Show SMILES CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C27H48O3/c1-5-6-7-8-13-27(4,30)24-10-9-20-19-17-23(29)22-16-18(28)11-14-25(22,2)21(19)12-15-26(20,24)3/h18-24,28-30H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Fate Therapeutics Curated by ChEMBL					Assay Description Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay				Bioorg Med Chem Lett 22: 5893-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.073 BindingDB Entry DOI: 10.7270/Q2WH2R9R
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50421170 (CHEMBL2086775 | CHEMBL2086786) Show SMILES CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C27H48O3/c1-5-6-7-8-13-27(4,30)24-10-9-20-19-17-23(29)22-16-18(28)11-14-25(22,2)21(19)12-15-26(20,24)3/h18-24,28-30H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Fate Therapeutics Curated by ChEMBL					Assay Description Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay				Bioorg Med Chem Lett 22: 5893-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.073 BindingDB Entry DOI: 10.7270/Q2WH2R9R
					More data for this Ligand-Target Pair