BDBM50514477 CHEMBL4593983

SMILES: Cl.CC(C)c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N

InChI Key: InChIKey=JYNIPVWGAYQBKS-FYZYNONXSA-N

Data: 2 KI  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 4 hits for monomerid = 50514477   

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 2 (Homo sapiens (Human))	BDBM50514477 (CHEMBL4593983) Show SMILES Cl.CC(C)c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C24H26F3N5O2.ClH/c1-14(2)18-12-16(21-30-22(34-31-21)19-4-3-11-32(19)23(28)29)7-10-20(18)33-13-15-5-8-17(9-6-15)24(25,26)27;/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H3,28,29);1H/t19-;/m0./s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	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 recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50514477 (CHEMBL4593983) Show SMILES Cl.CC(C)c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C24H26F3N5O2.ClH/c1-14(2)18-12-16(21-30-22(34-31-21)19-4-3-11-32(19)23(28)29)7-10-20(18)33-13-15-5-8-17(9-6-15)24(25,26)27;/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H3,28,29);1H/t19-;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+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 recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50514477 (CHEMBL4593983) Show SMILES Cl.CC(C)c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C24H26F3N5O2.ClH/c1-14(2)18-12-16(21-30-22(34-31-21)19-4-3-11-32(19)23(28)29)7-10-20(18)33-13-15-5-8-17(9-6-15)24(25,26)27;/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H3,28,29);1H/t19-;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>550	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human SphK1 expressed in Saccharomyces cerevisiae KYA1 assessed as yeast growth measured after 24 hrs				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514477 (CHEMBL4593983) Show SMILES Cl.CC(C)c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C24H26F3N5O2.ClH/c1-14(2)18-12-16(21-30-22(34-31-21)19-4-3-11-32(19)23(28)29)7-10-20(18)33-13-15-5-8-17(9-6-15)24(25,26)27;/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H3,28,29);1H/t19-;/m0./s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human SphK2 expressed in Saccharomyces cerevisiae KYA1 assessed as yeast growth measured after 24 hrs				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508
					More data for this Ligand-Target Pair