BDBM50530640 CHEMBL4546641

SMILES: Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2cccnn2)n1)C1CCNCC1

InChI Key: InChIKey=DMISXOXBJIPEBE-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 = 50530640   

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
CGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50530640 (CHEMBL4546641) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2cccnn2)n1)C1CCNCC1 Show InChI InChI=1S/C22H20FN7S/c23-16-5-3-14(4-6-16)19-20(31-21(29-19)15-7-11-24-12-8-15)17-9-13-25-22(27-17)28-18-2-1-10-26-30-18/h1-6,9-10,13,15,24H,7-8,11-12H2,(H,25,27,28,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum full length N-terminal His-tagged PKG expressed in Escherichia coli RosettaTM 2(DE3) pLysS cells using FAM-GRTGRR...				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099
					More data for this Ligand-Target Pair
CGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50530640 (CHEMBL4546641) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2cccnn2)n1)C1CCNCC1 Show InChI InChI=1S/C22H20FN7S/c23-16-5-3-14(4-6-16)19-20(31-21(29-19)15-7-11-24-12-8-15)17-9-13-25-22(27-17)28-18-2-1-10-26-30-18/h1-6,9-10,13,15,24H,7-8,11-12H2,(H,25,27,28,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum full length N-terminal His-tagged PKG expressed in Escherichia coli RosettaTM 2(DE3) pLysS cells using FAM-GRTGRR...				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099
					More data for this Ligand-Target Pair