BDBM50313350 6-(cyclohexyl(cyclopropylmethyl)amino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide::CHEMBL1080864::US9150519, 1-44

SMILES: O=C(Nc1ccc2[nH]ncc2c1)c1cc(ncn1)N(CC1CC1)C1CCCCC1

InChI Key: InChIKey=OXZXSTYRDKOYIB-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50313350   

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))	BDBM50313350 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(1H-indaz...) Show SMILES O=C(Nc1ccc2[nH]ncc2c1)c1cc(ncn1)N(CC1CC1)C1CCCCC1 Show InChI InChI=1S/C22H26N6O/c29-22(26-17-8-9-19-16(10-17)12-25-27-19)20-11-21(24-14-23-20)28(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H,25,27)(H,26,29)	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	9	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))	BDBM50313350 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(1H-indaz...) Show SMILES O=C(Nc1ccc2[nH]ncc2c1)c1cc(ncn1)N(CC1CC1)C1CCCCC1 Show InChI InChI=1S/C22H26N6O/c29-22(26-17-8-9-19-16(10-17)12-25-27-19)20-11-21(24-14-23-20)28(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H,25,27)(H,26,29)	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	9	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 3 (Homo sapiens (Human))	BDBM50313350 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(1H-indaz...) Show SMILES O=C(Nc1ccc2[nH]ncc2c1)c1cc(ncn1)N(CC1CC1)C1CCCCC1 Show InChI InChI=1S/C22H26N6O/c29-22(26-17-8-9-19-16(10-17)12-25-27-19)20-11-21(24-14-23-20)28(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H,25,27)(H,26,29)	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	>2.00E+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