Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50006259   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chitinase (Onchocerca volvulus)	BDBM50498224 (CHEMBL3577757) Show SMILES [Br-].Cc1[n+](Cc2ccc(Cl)cc2)ccc2c1[nH]c1cc(OCc3ccc(Cl)cc3)ccc21 Show InChI InChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-30(17)15-18-2-6-20(27)7-3-18)23-11-10-22(14-25(23)29-26)31-16-19-4-8-21(28)9-5-19/h2-14H,15-16H2,1H3/p+1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assess...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assess...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50498224 (CHEMBL3577757) Show SMILES [Br-].Cc1[n+](Cc2ccc(Cl)cc2)ccc2c1[nH]c1cc(OCc3ccc(Cl)cc3)ccc21 Show InChI InChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-30(17)15-18-2-6-20(27)7-3-18)23-11-10-22(14-25(23)29-26)31-16-19-4-8-21(28)9-5-19/h2-14H,15-16H2,1H3/p+1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50498228 (CHEMBL3577758) Show SMILES Cc1nccc2c3ccc(OCc4ccc(Cl)cc4)cc3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-29-17)23-11-10-22(31-16-19-4-8-21(28)9-5-19)14-25(23)30(26)15-18-2-6-20(27)7-3-18/h2-14H,15-16H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50498225 (CHEMBL3577754) Show SMILES [Br-].COc1ccc2c(c1)[nH]c1c(C)[n+](Cc3ccc(Cl)cc3)ccc21 Show InChI InChI=1S/C20H17ClN2O/c1-13-20-18(17-8-7-16(24-2)11-19(17)22-20)9-10-23(13)12-14-3-5-15(21)6-4-14/h3-11H,12H2,1-2H3/p+1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50498227 (CHEMBL3577753) Show SMILES [Br-].COc1ccc2c(c1)[nH]c1c(C)[n+](CC3CC3)ccc21 Show InChI InChI=1S/C17H18N2O/c1-11-17-15(7-8-19(11)10-12-3-4-12)14-6-5-13(20-2)9-16(14)18-17/h5-9,12H,3-4,10H2,1-2H3/p+1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50498226 (Harmol) Show SMILES Cc1[nH]ccc2c3ccc(=O)cc3[nH]c12 Show InChI InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50013786 (1-Methyl-9H-beta-carboline | 1-Methyl-9H-beta-carb...) Show SMILES Cc1nccc2c3ccccc3[nH]c12 Show InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair
Chitinase (Onchocerca volvulus)	BDBM50013811 (9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...) Show SMILES c1ccc2c(c1)[nH]c1cnccc21 Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...				ACS Med Chem Lett 6: 339-43 (2015) Article DOI: 10.1021/ml500516r BindingDB Entry DOI: 10.7270/Q2C53PTX
					More data for this Ligand-Target Pair