BDBM50530639 CHEMBL4461276

SMILES: Cc1nc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc(C2CC2)c1F

InChI Key: InChIKey=ORAOYXXUBZCBJN-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 = 50530639   

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)	BDBM50530639 (CHEMBL4461276) Show SMILES Cc1nc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc(C2CC2)c1F Show InChI InChI=1S/C27H26F2N6S/c1-15-23(29)20(16-2-3-16)14-22(32-15)34-27-31-13-10-21(33-27)25-24(17-4-6-19(28)7-5-17)35-26(36-25)18-8-11-30-12-9-18/h4-7,10,13-14,16,18,30H,2-3,8-9,11-12H2,1H3,(H,31,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	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)	BDBM50530639 (CHEMBL4461276) Show SMILES Cc1nc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc(C2CC2)c1F Show InChI InChI=1S/C27H26F2N6S/c1-15-23(29)20(16-2-3-16)14-22(32-15)34-27-31-13-10-21(33-27)25-24(17-4-6-19(28)7-5-17)35-26(36-25)18-8-11-30-12-9-18/h4-7,10,13-14,16,18,30H,2-3,8-9,11-12H2,1H3,(H,31,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	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