BDBM50264942 (S)-4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile::4-(6-{[(1S)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}IMIDAZO[1,2-B]PYRIDAZIN-3-YL)BENZONITRILE::CHEMBL495709::US10688093, Compound 229_0254_0086

SMILES: CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1

InChI Key: InChIKey=CQZVJEKKNHOFNB-OAHLLOKOSA-N

Data: 3 IC50

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 3 hits for monomerid = 50264942   

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
Putative uncharacterized protein pk7 (Plasmodium falciparum)	BDBM50264942 ((S)-4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imidaz...) Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r| Show InChI InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PK7				Bioorg Med Chem Lett 18: 5294-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.043 BindingDB Entry DOI: 10.7270/Q21J99K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50264942 ((S)-4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imidaz...) Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r| Show InChI InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...				US Patent US10688093 (2020)
					More data for this Ligand-Target Pair
Putative uncharacterized protein pk7 (Plasmodium falciparum)	BDBM50264942 ((S)-4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imidaz...) Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r| Show InChI InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum protein kinase 7				Citation and Details Article DOI: 10.1007/s00044-011-9572-x BindingDB Entry DOI: 10.7270/Q2FT8PWW
					More data for this Ligand-Target Pair				3D Structure (crystal)