BDBM60832 US9181182, 23

SMILES: CC1(C)C2CC1C(CCOc1ccc(CCC(N)(CO)CO)cc1)CC2

InChI Key: InChIKey=KSDMRGWEFNUMPG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 60832   

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 (S1P1) (Homo sapiens (Human))	BDBM60832 (US9181182, 23) Show SMILES CC1(C)C2CC1C(CCOc1ccc(CCC(N)(CO)CO)cc1)CC2 |TLB:7:6:1:4| Show InChI InChI=1S/C22H35NO3/c1-21(2)18-6-5-17(20(21)13-18)10-12-26-19-7-3-16(4-8-19)9-11-22(23,14-24)15-25/h3-4,7-8,17-18,20,24-25H,5-6,9-15,23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair