BDBM50077145 CHEMBL3416836

SMILES: Cl.[H][C@]1(C[C@@H](O)CN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1

InChI Key: InChIKey=RPXDYOPZSHQFRH-MSOLQXFVSA-N

Data: 2 KI

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 = 50077145   

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 kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50077145 (CHEMBL3416836) Show SMILES Cl.[H][C@]1(C[C@@H](O)CN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50077145 (CHEMBL3416836) Show SMILES Cl.[H][C@]1(C[C@@H](O)CN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
					More data for this Ligand-Target Pair