BDBM286281 US9518026, Example 74::US9956214, Compound 1657

SMILES: NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCC1

InChI Key: InChIKey=BEHMFFDBKCHBHU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 286281   

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 (CDPK1) (Toxoplasma gondii)	BDBM286281 (US9518026, Example 74 | US9956214, Compound 1657) Show SMILES NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCC1 Show InChI InChI=1S/C21H23N5O2/c22-20-18(21(23)27)19(25-26(20)14-3-1-4-14)13-9-12-7-8-16(10-17(12)24-11-13)28-15-5-2-6-15/h7-11,14-15H,1-6,22H2,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum)	BDBM286281 (US9518026, Example 74 | US9956214, Compound 1657) Show SMILES NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCC1 Show InChI InChI=1S/C21H23N5O2/c22-20-18(21(23)27)19(25-26(20)14-3-1-4-14)13-9-12-7-8-16(10-17(12)24-11-13)28-15-5-2-6-15/h7-11,14-15H,1-6,22H2,(H2,23,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM286281 (US9518026, Example 74 | US9956214, Compound 1657) Show SMILES NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCC1 Show InChI InChI=1S/C21H23N5O2/c22-20-18(21(23)27)19(25-26(20)14-3-1-4-14)13-9-12-7-8-16(10-17(12)24-11-13)28-15-5-2-6-15/h7-11,14-15H,1-6,22H2,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1) (Cryptosporidium parvum)	BDBM286281 (US9518026, Example 74 | US9956214, Compound 1657) Show SMILES NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCC1 Show InChI InChI=1S/C21H23N5O2/c22-20-18(21(23)27)19(25-26(20)14-3-1-4-14)13-9-12-7-8-16(10-17(12)24-11-13)28-15-5-2-6-15/h7-11,14-15H,1-6,22H2,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair