Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '2-amino-3-carboxymuconate-6-semialdehyde decarboxylase' and Ligand = 'BDBM261610'   

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
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261610 (US10513499, Compound 22 | US11254644, Compound 22 ...) Show SMILES OC(=O)c1cccc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)c1 Show InChI InChI=1S/C19H12ClN3O2S/c20-17-15(10-21)16(13-6-2-1-3-7-13)22-19(23-17)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261610 (US10513499, Compound 22 | US11254644, Compound 22 ...) Show SMILES OC(=O)c1cccc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)c1 Show InChI InChI=1S/C19H12ClN3O2S/c20-17-15(10-21)16(13-6-2-1-3-7-13)22-19(23-17)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The activity of compounds 1-19 and 21-23 as inhibitors of ACMSD1 was determined by measuring the conversion of 3OH-Anthranilic Acid into product (i.e...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H1356H
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261610 (US10513499, Compound 22 | US11254644, Compound 22 ...) Show SMILES OC(=O)c1cccc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)c1 Show InChI InChI=1S/C19H12ClN3O2S/c20-17-15(10-21)16(13-6-2-1-3-7-13)22-19(23-17)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. US Patent					Assay Description The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...				US Patent US10513499 (2019) BindingDB Entry DOI: 10.7270/Q2H41TTQ
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261610 (US10513499, Compound 22 | US11254644, Compound 22 ...) Show SMILES OC(=O)c1cccc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)c1 Show InChI InChI=1S/C19H12ClN3O2S/c20-17-15(10-21)16(13-6-2-1-3-7-13)22-19(23-17)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. US Patent					Assay Description The pre-assay mixture consisting of 3-hydroxyanthranilic acid (3OH-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...				US Patent US9708272 (2017) BindingDB Entry DOI: 10.7270/Q20P1215
					More data for this Ligand-Target Pair