BDBM192145 US9187437, 29

SMILES: Nc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1

InChI Key: InChIKey=LVWOSFUQNRVOQP-UHFFFAOYSA-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 = 192145   

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 3 (Homo sapiens (Human))	BDBM192145 (US9187437, 29) Show SMILES Nc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1 Show InChI InChI=1S/C21H24N4O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2,(H2,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	60
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...				US Patent US9187437 (2015) BindingDB Entry DOI: 10.7270/Q2JH3K0X
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM192145 (US9187437, 29) Show SMILES Nc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1 Show InChI InChI=1S/C21H24N4O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	60
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...				US Patent US9187437 (2015) BindingDB Entry DOI: 10.7270/Q2JH3K0X
					More data for this Ligand-Target Pair