BindingDB PrimarySearch

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50012651
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Chitin synthase 1 (Candida albicans)	BDBM50559071 (CHEMBL4741395) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)COc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase 1 expressed in Saccharomyces cerevisiae RRA400-1U cells using [3H]UDP-GlcNAc as substrate by scintilla...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50559072 (CHEMBL4786444) Show SMILES CC(C)(C)C#CC=CCNc1cccc2[nH]c(=O)ccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase 1 expressed in Saccharomyces cerevisiae RRA400-1U cells using [3H]UDP-GlcNAc as substrate by scintilla...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Endochitinase B1 (Aspergillus fumigatus)	BDBM50559069 (CHEMBL4756641) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aspergillus fumigatus chitinase B1 expressed in Escherichia coli using 4MU-GlcNAc2 as substrate by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50559067 (CHEMBL4778111) Show SMILES COc1ccccc1-c1noc2nc(C)[nH]c(=O)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aspergillus fumigatus chiA1 (Arg28 to His337) expressed in Pichia pastoris incubated for 70 mins using 4MU-NAc3 as substrate by fluores...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Chitin synthase 1 (Candida albicans)	BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase 1				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50559068 (CHEMBL4742348) Show SMILES Cc1ccc(OCC(O)CNC2Cc3ccccc3C2)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aspergillus fumigatus chiA1 (Arg28 to His337) expressed in Pichia pastoris incubated for 70 mins using 4MU-NAc3 as substrate by fluores...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Chitin synthase 2 (Candida albicans)	BDBM50559070 (CHEMBL1182094) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Chitin synthase 2 in Candida albicans (chs3del::hisG/chs3del::hisG) microsomes using UDP-[U14C]-GlcNac as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50559070 (CHEMBL1182094) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Chitin synthase 1 in Candida albicans (chs3del::hisG/chs3del::hisG) microsomes using UDP-[U14C]-GlcNac as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50559065 (CHEMBL4746677) Show SMILES CCCCNC(=N)NC(=O)NC Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aspergillus fumigatus chiA1 (Ser29 to Leu335) expressed in Pichia pastoris using 4MU-NAG3 as substrate by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50559064 (CHEMBL4748964) Show SMILES CNC(=O)NC(=N)NC1CCCCC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aspergillus fumigatus chiA1 (Ser29 to Leu335) expressed in Pichia pastoris using 4MU-NAG3 as substrate by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50559066 (CHEMBL1236848) Show SMILES CNC(=N)NC(=O)NC Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aspergillus fumigatus chiA1 (Ser29 to Leu335) expressed in Pichia pastoris using 4MU-NAG3 as substrate by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50559067 (CHEMBL4778111) Show SMILES COc1ccccc1-c1noc2nc(C)[nH]c(=O)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human chitinase1 incubated for 70 mins using 4MU-NAG2 as substrate by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair
Endochitinase B1 (Aspergillus fumigatus)	BDBM50559066 (CHEMBL1236848) Show SMILES CNC(=N)NC(=O)NC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aspergillus fumigatus chitinase B1 expressed in Escherichia coli using 4MU-GlcNAc2 as substrate by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)