BDBM183688 US9150519, 1-86

SMILES: Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCC(=O)OC(C)(C)C

InChI Key: InChIKey=WNPOCGJFXFBAEK-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 183688   

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))	BDBM183688 (US9150519, 1-86) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCC(=O)OC(C)(C)C Show InChI InChI=1S/C29H41N5O5S/c1-20-16-23(40(37,38)32-15-14-27(35)39-29(2,3)4)12-13-24(20)33-28(36)25-17-26(31-19-30-25)34(18-21-10-11-21)22-8-6-5-7-9-22/h12-13,16-17,19,21-22,32H,5-11,14-15,18H2,1-4H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.46E+3	-7.11	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
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