BDBM50313333 6-(cyclohexylamino)-N-(4-(methylsulfonamido)phenyl)pyrimidine-4-carboxamide::CHEMBL1087139::US9150519, 1-13

SMILES: CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1

InChI Key: InChIKey=OSXWBQNYKRPINE-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50313333   

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))	BDBM50313333 (6-(cyclohexylamino)-N-(4-(methylsulfonamido)phenyl...) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	280	-8.30	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))	BDBM50313333 (6-(cyclohexylamino)-N-(4-(methylsulfonamido)phenyl...) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	>3.00E+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))	BDBM50313333 (6-(cyclohexylamino)-N-(4-(methylsulfonamido)phenyl...) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)	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	960	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))	BDBM50313333 (6-(cyclohexylamino)-N-(4-(methylsulfonamido)phenyl...) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)	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	960	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