BDBM416615 4-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)piperidin-4-ol::US10307425, Example 82::US10632122, Example 82

SMILES: Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12

InChI Key: InChIKey=OCBNPAIXXHWADI-UHFFFAOYSA-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 = 416615   

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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416615 (4-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...) Show SMILES Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12 Show InChI InChI=1S/C23H25N7O2/c24-21-19-20(15-1-5-17-14(11-15)2-6-18(28-17)32-16-3-4-16)29-30(22(19)27-13-26-21)12-23(31)7-9-25-10-8-23/h1-2,5-6,11,13,16,25,31H,3-4,7-10,12H2,(H2,24,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington US Patent					Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...				US Patent US10632122 (2020)
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416615 (4-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...) Show SMILES Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12 Show InChI InChI=1S/C23H25N7O2/c24-21-19-20(15-1-5-17-14(11-15)2-6-18(28-17)32-16-3-4-16)29-30(22(19)27-13-26-21)12-23(31)7-9-25-10-8-23/h1-2,5-6,11,13,16,25,31H,3-4,7-10,12H2,(H2,24,26,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington US Patent					Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...				US Patent US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair