BDBM183699 US9150519, 1-97

SMILES: CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCCC(O)=O)cc1C

InChI Key: InChIKey=UBPZNFKIENWXRN-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 = 183699   

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))	BDBM183699 (US9150519, 1-97) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCCC(O)=O)cc1C Show InChI InChI=1S/C23H31N5O3/c1-3-10-28(14-17-4-5-17)21-12-20(25-15-26-21)23(31)27-19-7-6-18(11-16(19)2)13-24-9-8-22(29)30/h6-7,11-12,15,17,24H,3-5,8-10,13-14H2,1-2H3,(H,27,31)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	-10.2	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))	BDBM183699 (US9150519, 1-97) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCCC(O)=O)cc1C Show InChI InChI=1S/C23H31N5O3/c1-3-10-28(14-17-4-5-17)21-12-20(25-15-26-21)23(31)27-19-7-6-18(11-16(19)2)13-24-9-8-22(29)30/h6-7,11-12,15,17,24H,3-5,8-10,13-14H2,1-2H3,(H,27,31)(H,29,30)	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	33	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