BDBM183701 US9150519, 1-100

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

InChI Key: InChIKey=XXYNEZWTIVJUGG-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 183701   

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))	BDBM183701 (US9150519, 1-100) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCC(O)=O)cc1C Show InChI InChI=1S/C22H29N5O3/c1-3-8-27(13-16-4-5-16)20-10-19(24-14-25-20)22(30)26-18-7-6-17(9-15(18)2)11-23-12-21(28)29/h6-7,9-10,14,16,23H,3-5,8,11-13H2,1-2H3,(H,26,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-10.3	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 3 (Homo sapiens (Human))	BDBM183701 (US9150519, 1-100) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCC(O)=O)cc1C Show InChI InChI=1S/C22H29N5O3/c1-3-8-27(13-16-4-5-16)20-10-19(24-14-25-20)22(30)26-18-7-6-17(9-15(18)2)11-23-12-21(28)29/h6-7,9-10,14,16,23H,3-5,8,11-13H2,1-2H3,(H,26,30)(H,28,29)	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	>2.00E+4	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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM183701 (US9150519, 1-100) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCC(O)=O)cc1C Show InChI InChI=1S/C22H29N5O3/c1-3-8-27(13-16-4-5-16)20-10-19(24-14-25-20)22(30)26-18-7-6-17(9-15(18)2)11-23-12-21(28)29/h6-7,9-10,14,16,23H,3-5,8,11-13H2,1-2H3,(H,26,30)(H,28,29)	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	45	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