BDBM50313359 4-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)butanoic acid::CHEMBL1086158::US9150519, 1-63

SMILES: Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCCC(O)=O

InChI Key: InChIKey=SJXBGLPWBJFAFY-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 = 50313359   

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))	BDBM50313359 (4-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCCC(O)=O Show InChI InChI=1S/C26H35N5O5S/c1-18-14-21(37(35,36)29-13-5-8-25(32)33)11-12-22(18)30-26(34)23-15-24(28-17-27-23)31(16-19-9-10-19)20-6-3-2-4-7-20/h11-12,14-15,17,19-20,29H,2-10,13,16H2,1H3,(H,30,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50313359 (4-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCCC(O)=O Show InChI InChI=1S/C26H35N5O5S/c1-18-14-21(37(35,36)29-13-5-8-25(32)33)11-12-22(18)30-26(34)23-15-24(28-17-27-23)31(16-19-9-10-19)20-6-3-2-4-7-20/h11-12,14-15,17,19-20,29H,2-10,13,16H2,1H3,(H,30,34)(H,32,33)	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	1.31E+3	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))	BDBM50313359 (4-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCCC(O)=O Show InChI InChI=1S/C26H35N5O5S/c1-18-14-21(37(35,36)29-13-5-8-25(32)33)11-12-22(18)30-26(34)23-15-24(28-17-27-23)31(16-19-9-10-19)20-6-3-2-4-7-20/h11-12,14-15,17,19-20,29H,2-10,13,16H2,1H3,(H,30,34)(H,32,33)	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	20	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))	BDBM50313359 (4-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCCC(O)=O Show InChI InChI=1S/C26H35N5O5S/c1-18-14-21(37(35,36)29-13-5-8-25(32)33)11-12-22(18)30-26(34)23-15-24(28-17-27-23)31(16-19-9-10-19)20-6-3-2-4-7-20/h11-12,14-15,17,19-20,29H,2-10,13,16H2,1H3,(H,30,34)(H,32,33)	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	20	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