BDBM183642 US9150519, 1-4

SMILES: Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O

InChI Key: InChIKey=CPRVOIHQQNGSOD-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 = 183642   

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))	BDBM183642 (US9150519, 1-4) Show SMILES Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O Show InChI InChI=1S/C18H22N4O2/c1-12-9-14(7-8-16(12)23)22-18(24)15-10-17(20-11-19-15)21-13-5-3-2-4-6-13/h7-11,13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	980	-7.61	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))	BDBM183642 (US9150519, 1-4) Show SMILES Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O Show InChI InChI=1S/C18H22N4O2/c1-12-9-14(7-8-16(12)23)22-18(24)15-10-17(20-11-19-15)21-13-5-3-2-4-6-13/h7-11,13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)	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	790	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