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SMILES: CN1CCC(CC2(N)N=CN=C3NNC(=C23)c2ccc3nc(OC4CC4)ccc3c2)CC1

InChI Key: InChIKey=NDRPRJWDIRKERS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 416537   

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)	BDBM416537 (US10307425, Example 3 | US10632122, Example 3) Show SMILES CN1CCC(CC2(N)N=CN=C3NNC(=C23)c2ccc3nc(OC4CC4)ccc3c2)CC1 |c:8,t:10,14| Show InChI InChI=1S/C12H10BrNO/c13-9-2-5-11-8(7-9)1-6-12(14-11)15-10-3-4-10/h1-2,5-7,10H,3-4H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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) BindingDB Entry DOI: 10.7270/Q2M048G9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416537 (US10307425, Example 3 | US10632122, Example 3) Show SMILES CN1CCC(CC2(N)N=CN=C3NNC(=C23)c2ccc3nc(OC4CC4)ccc3c2)CC1 |c:8,t:10,14| Show InChI InChI=1S/C12H10BrNO/c13-9-2-5-11-8(7-9)1-6-12(14-11)15-10-3-4-10/h1-2,5-7,10H,3-4H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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