BDBM50313338 6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide::CHEMBL1088177::US9150519, 1-38

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

InChI Key: InChIKey=PPJCGPOASWRIPM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50313338   

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))	BDBM50313338 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30)	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	2	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 3 (Homo sapiens (Human))	BDBM50313338 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30)	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	4.75E+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 5 (Homo sapiens (Human))	BDBM50313338 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a
Merck Serono SA Curated by ChEMBL					Assay Description Agonist activity at S1P5 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 3 (Homo sapiens (Human))	BDBM50313338 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Merck Serono SA Curated by ChEMBL					Assay Description Agonist activity at S1P3 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))	BDBM50313338 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...) Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30)	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	1.60	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