BDBM26668 CHEMBL494360::N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-a]pyridin-6-amine::triazolopyridazine compound, 1

SMILES: FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCCC3)nn12

InChI Key: InChIKey=XYYDXQCAYXOGQT-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

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 = 26668   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26668 (CHEMBL494360 | N-cyclohexyl-3-[3-(trifluoromethyl)...) Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCCC3)nn12 Show InChI InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...				Bioorg Med Chem Lett 19: 3019-22 (2009) Article DOI: 10.1016/j.bmcl.2009.04.061 BindingDB Entry DOI: 10.7270/Q21J99PJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26668 (CHEMBL494360 | N-cyclohexyl-3-[3-(trifluoromethyl)...) Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCCC3)nn12 Show InChI InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	-11.0	n/a	n/a	n/a	n/a	n/a	7.6	30
Vertex					Assay Description A coupled-enzyme assay was used to quantify the ADP generated in the kinase reaction with S6 peptide (RRRLSSLRA) as the phosphoacceptor substrate.				J Med Chem 51: 1972-5 (2008) Article DOI: 10.1021/jm701248t BindingDB Entry DOI: 10.7270/Q2HM56RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)