BDBM50313356 2-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)acetic acid::CHEMBL1082868::US9150519, 1-103

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

InChI Key: InChIKey=YHNNXYPIPJSUOP-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50313356   

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))	BDBM50313356 (2-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C21H27N5O5S/c1-3-8-26(12-15-4-5-15)19-10-18(22-13-23-19)21(29)25-17-7-6-16(9-14(17)2)32(30,31)24-11-20(27)28/h6-7,9-10,13,15,24H,3-5,8,11-12H2,1-2H3,(H,25,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	208	n/a	n/a	n/a	n/a
Merck Serono SA Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay				Bioorg Med Chem Lett 20: 1516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.102 BindingDB Entry DOI: 10.7270/Q2J38SQK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50313356 (2-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...) Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C21H27N5O5S/c1-3-8-26(12-15-4-5-15)19-10-18(22-13-23-19)21(29)25-17-7-6-16(9-14(17)2)32(30,31)24-11-20(27)28/h6-7,9-10,13,15,24H,3-5,8,11-12H2,1-2H3,(H,25,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	208	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