BDBM50120581 CHEMBL3618198

SMILES: OC1(CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1

InChI Key: InChIKey=JNQJEJOYNMPQBZ-UHFFFAOYSA-N

Data: 2 IC50

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 = 50120581   

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 2 (S1P2) (Rattus norvegicus (Rat))	BDBM50120581 (CHEMBL3618198) Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1 Show InChI InChI=1S/C29H25F2N3O4/c30-21-3-1-20(2-4-21)29(36)11-15-34(16-12-29)28(35)33-23-17-26(37-24-7-5-22(31)6-8-24)19-27(18-23)38-25-9-13-32-14-10-25/h1-10,13-14,17-19,36H,11-12,15-16H2,(H,33,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay				Bioorg Med Chem Lett 25: 4387-92 (2015) BindingDB Entry DOI: 10.7270/Q2SX6G1K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50120581 (CHEMBL3618198) Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1 Show InChI InChI=1S/C29H25F2N3O4/c30-21-3-1-20(2-4-21)29(36)11-15-34(16-12-29)28(35)33-23-17-26(37-24-7-5-22(31)6-8-24)19-27(18-23)38-25-9-13-32-14-10-25/h1-10,13-14,17-19,36H,11-12,15-16H2,(H,33,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay				Bioorg Med Chem Lett 25: 4387-92 (2015) BindingDB Entry DOI: 10.7270/Q2SX6G1K
					More data for this Ligand-Target Pair