BDBM50530646 CHEMBL4531226

SMILES: Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCOCC1

InChI Key: InChIKey=AGHYWROLEMGBLK-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 = 50530646   

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)	BDBM50530646 (CHEMBL4531226) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCOCC1 Show InChI InChI=1S/C27H28FN7OS/c28-20-3-1-19(2-4-20)24-25(37-27(33-24)35-15-17-36-18-16-35)23-9-10-30-26(32-23)31-21-5-7-22(8-6-21)34-13-11-29-12-14-34/h1-10,29H,11-18H2,(H,30,31,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	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
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50530646 (CHEMBL4531226) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCOCC1 Show InChI InChI=1S/C27H28FN7OS/c28-20-3-1-19(2-4-20)24-25(37-27(33-24)35-15-17-36-18-16-35)23-9-10-30-26(32-23)31-21-5-7-22(8-6-21)34-13-11-29-12-14-34/h1-10,29H,11-18H2,(H,30,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay				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)	BDBM50530646 (CHEMBL4531226) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCOCC1 Show InChI InChI=1S/C27H28FN7OS/c28-20-3-1-19(2-4-20)24-25(37-27(33-24)35-15-17-36-18-16-35)23-9-10-30-26(32-23)31-21-5-7-22(8-6-21)34-13-11-29-12-14-34/h1-10,29H,11-18H2,(H,30,31,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	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
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50530646 (CHEMBL4531226) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCOCC1 Show InChI InChI=1S/C27H28FN7OS/c28-20-3-1-19(2-4-20)24-25(37-27(33-24)35-15-17-36-18-16-35)23-9-10-30-26(32-23)31-21-5-7-22(8-6-21)34-13-11-29-12-14-34/h1-10,29H,11-18H2,(H,30,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099
					More data for this Ligand-Target Pair