BDBM50432793 CHEMBL2348821

SMILES: CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1

InChI Key: InChIKey=VIIHAWVNRZJWJG-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 = 50432793   

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 Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50432793 (CHEMBL2348821) Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				J Med Chem 56: 4028-43 (2013) Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF
					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50432793 (CHEMBL2348821) Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...				J Med Chem 56: 4028-43 (2013) Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF
					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50432793 (CHEMBL2348821) Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...				J Med Chem 56: 4028-43 (2013) Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF
					More data for this Ligand-Target Pair