BDBM50433361 CHEMBL2377452

SMILES: CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C

InChI Key: InChIKey=XNENHSJMFMMYLB-QIGHUWCUSA-N

Data: 4 IC50

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 = 50433361   

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
Lanosterol synthase (Homo sapiens (Human))	BDBM50433361 (CHEMBL2377452) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11| Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate				Eur J Med Chem 63: 758-64 (2013) Article DOI: 10.1016/j.ejmech.2013.03.002 BindingDB Entry DOI: 10.7270/Q2FB54B4
					More data for this Ligand-Target Pair
Lanosterol synthase (Saccharomyces cerevisiae)	BDBM50433361 (CHEMBL2377452) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11| Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrat...				Eur J Med Chem 63: 758-64 (2013) Article DOI: 10.1016/j.ejmech.2013.03.002 BindingDB Entry DOI: 10.7270/Q2FB54B4
					More data for this Ligand-Target Pair
Lanosterol synthase (Pneumocystis carinii)	BDBM50433361 (CHEMBL2377452) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11| Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as subs...				Eur J Med Chem 63: 758-64 (2013) Article DOI: 10.1016/j.ejmech.2013.03.002 BindingDB Entry DOI: 10.7270/Q2FB54B4
					More data for this Ligand-Target Pair
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50433361 (CHEMBL2377452) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11| Show InChI InChI=1S/C26H47N/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27/h21-22,24H,5-20H2,1-4H3/t22-,24-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as s...				Eur J Med Chem 63: 758-64 (2013) Article DOI: 10.1016/j.ejmech.2013.03.002 BindingDB Entry DOI: 10.7270/Q2FB54B4
					More data for this Ligand-Target Pair