BDBM81428 N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetamide, Compound C91

SMILES: O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1

InChI Key: InChIKey=XYCMWFINXXFAFG-UHFFFAOYSA-N

Data: 4 KI  6 IC50

PDB links: 3 PDB IDs match 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 10 hits for monomerid = 81428   

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)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	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 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, probable (Cryptosporidium parvum)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	14	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)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	44	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 (Bacillus anthracis)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	820	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 (IMPDH) (Streptococcus pyogenes)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	8.0	25
Brandeis University					Assay Description Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).				Chem Biol 17: 1084-91 (2010) Article DOI: 10.1016/j.chembiol.2010.07.014 BindingDB Entry DOI: 10.7270/Q2GH9GF5
					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	25
Brandeis University					Assay Description Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).				Chem Biol 17: 1084-91 (2010) Article DOI: 10.1016/j.chembiol.2010.07.014 BindingDB Entry DOI: 10.7270/Q2GH9GF5
					More data for this Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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				Bioorg Med Chem Lett 22: 1985-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.029 BindingDB Entry DOI: 10.7270/Q2959JJB
					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	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 recombinant Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as NADH production preincubated for 5 mins by fluoresce...				Bioorg Med Chem Lett 22: 1985-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.029 BindingDB Entry DOI: 10.7270/Q2959JJB
					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	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 recombinant Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as NADH production preincubated for 5 mins by fluoresce...				Bioorg Med Chem Lett 22: 1985-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.029 BindingDB Entry DOI: 10.7270/Q2959JJB
					More data for this Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH) (Helicobacter pylori (strain G27))	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	8.0	25
Brandeis University					Assay Description Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).				Chem Biol 17: 1084-91 (2010) Article DOI: 10.1016/j.chembiol.2010.07.014 BindingDB Entry DOI: 10.7270/Q2GH9GF5
					More data for this Ligand-Target Pair