BDBM183692 US9150519, 1-90

SMILES: COCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1

InChI Key: InChIKey=XZGQKWWODUUERO-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 183692   

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))	BDBM183692 (US9150519, 1-90) Show SMILES COCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H22N6O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	23	-9.68	n/a	n/a	n/a	n/a	n/a	7.4	4
MERCK SERONO SA US Patent					Assay Description Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRI...				US Patent US9150519 (2015) BindingDB Entry DOI: 10.7270/Q2H993ZK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM183692 (US9150519, 1-90) Show SMILES COCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H22N6O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26)	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	69	n/a	n/a	7.4	30
MERCK SERONO SA US Patent					Assay Description Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 µg protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElm...				US Patent US9150519 (2015) BindingDB Entry DOI: 10.7270/Q2H993ZK
					More data for this Ligand-Target Pair