BDBM50467863 CHEMBL4168641

SMILES: COc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1

InChI Key: InChIKey=WPSROWHLUYGOLG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50467863   

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
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467863 (CHEMBL4168641) Show SMILES COc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-8-6-11(7-9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-5-3-2-4-13(14)15/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50467863 (CHEMBL4168641) Show SMILES COc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-8-6-11(7-9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-5-3-2-4-13(14)15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH) (Homo sapiens (Human))	BDBM50467863 (CHEMBL4168641) Show SMILES COc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-8-6-11(7-9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-5-3-2-4-13(14)15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair