BDBM50426014 CHEMBL2315283

SMILES: Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O

InChI Key: InChIKey=GMQDVIPGHXODOQ-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50426014   

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, probable (Cryptosporidium parvum)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	5	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
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	12	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase, probable (Cryptosporidium parvum)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	49	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 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
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	500	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptosporidium parvum IMPDH assessed as production of NADH by fluorescence assay				Bioorg Med Chem Lett 23: 1004-7 (2013) Article DOI: 10.1016/j.bmcl.2012.12.037 BindingDB Entry DOI: 10.7270/Q2NG4RZH
					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptosporidium parvum IMPDH assessed as production of NADH by fluorescence assay in presence of 0.05% BSA				Bioorg Med Chem Lett 23: 1004-7 (2013) Article DOI: 10.1016/j.bmcl.2012.12.037 BindingDB Entry DOI: 10.7270/Q2NG4RZH
					More data for this Ligand-Target Pair