BDBM50152542 (1R,2R)-1-Amino-1-(6-octyl-1H-benzoimidazol-2-yl)-propan-2-ol; TFA::CHEMBL183888

SMILES: CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)O

InChI Key: InChIKey=BSKDWFVVKSTHAZ-DYVFJYSZSA-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 = 50152542   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50152542 ((1R,2R)-1-Amino-1-(6-octyl-1H-benzoimidazol-2-yl)-...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)O Show InChI InChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)22/h10-13,17,22H,3-9,19H2,1-2H3,(H,20,21)/t13-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50152542 ((1R,2R)-1-Amino-1-(6-octyl-1H-benzoimidazol-2-yl)-...) Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)[C@@H](C)O Show InChI InChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)22/h10-13,17,22H,3-9,19H2,1-2H3,(H,20,21)/t13-,17+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...				Bioorg Med Chem Lett 14: 4903-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.030 BindingDB Entry DOI: 10.7270/Q26T0NCJ
					More data for this Ligand-Target Pair