BindingDB PrimarySearch

BDBM50432791 CHEMBL2348823

SMILES: C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1

InChI Key: InChIKey=QCNXGTHMVPSAAC-INIZCTEOSA-N

Data: 4 KI 6 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50432791
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Inosine-5'-monophosphate dehydrogenase, probable (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase, probable (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.10	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
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	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
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	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
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9	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
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50432791 (CHEMBL2348823) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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
Brandeis University Curated by ChEMBL					More data for this Ligand-Target Pair