BDBM50312930 (S)-N1-(5-(3-aminobenzo[d]isoxazol-5-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine::CHEMBL1081660

SMILES: N[C@H](CNc1ncc(s1)-c1ccc2onc(N)c2c1)Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=VWWGPEDOUGDOMJ-AWEZNQCLSA-N

Data: 2 IC50

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 = 50312930   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50312930 ((S)-N1-(5-(3-aminobenzo[d]isoxazol-5-yl)thiazol-2-...) Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2onc(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-26-19-27-10-17(30-19)12-3-6-16-15(8-12)18(25)28-29-16/h1-6,8,10,14H,7,9,24H2,(H2,25,28)(H,26,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 20: 1559-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.067 BindingDB Entry DOI: 10.7270/Q20C4VWX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50312930 ((S)-N1-(5-(3-aminobenzo[d]isoxazol-5-yl)thiazol-2-...) Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2onc(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-26-19-27-10-17(30-19)12-3-6-16-15(8-12)18(25)28-29-16/h1-6,8,10,14H,7,9,24H2,(H2,25,28)(H,26,27)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	453	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA				Bioorg Med Chem Lett 20: 1559-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.067 BindingDB Entry DOI: 10.7270/Q20C4VWX
					More data for this Ligand-Target Pair