Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.8 BDBM50467871

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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...)	BDBM50467871 (CHEMBL4288538) Show SMILES Clc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-12-7-3-1-5-10(12)15-18-19-16(22-15)23-13-9-24(20,21)14-8-4-2-6-11(13)14/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	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
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467871 (CHEMBL4288538) Show SMILES Clc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-12-7-3-1-5-10(12)15-18-19-16(22-15)23-13-9-24(20,21)14-8-4-2-6-11(13)14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+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 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
Lanosterol synthase (Homo sapiens (Human))	BDBM50467871 (CHEMBL4288538) Show SMILES Clc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-12-7-3-1-5-10(12)15-18-19-16(22-15)23-13-9-24(20,21)14-8-4-2-6-11(13)14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+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 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