BDBM50313344 CHEMBL1087910::N-(4-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide::US9150519, 1-48

SMILES: NCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1

InChI Key: InChIKey=FQOURJZKLBJPLD-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 = 50313344   

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))	BDBM50313344 (CHEMBL1087910 | N-(4-(aminomethyl)phenyl)-6-(cyclo...) Show SMILES NCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H29N5O/c23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19/h8-12,15,17,19H,1-7,13-14,23H2,(H,26,28)	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	39	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))	BDBM50313344 (CHEMBL1087910 | N-(4-(aminomethyl)phenyl)-6-(cyclo...) Show SMILES NCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H29N5O/c23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19/h8-12,15,17,19H,1-7,13-14,23H2,(H,26,28)	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	39	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