Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50449821'   

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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50449821 (CHEMBL4168586) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(Cl)cc1Cl Show InChI InChI=1S/C11H12Cl2N2O5S/c12-7-5-8(13)9(21(14,19)20)4-6(7)11(18)15-3-1-2-10(16)17/h4-5H,1-3H2,(H,15,18)(H,16,17)(H2,14,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift assay				Eur J Med Chem 156: 61-78 (2018) Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50449821 (CHEMBL4168586) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(Cl)cc1Cl Show InChI InChI=1S/C11H12Cl2N2O5S/c12-7-5-8(13)9(21(14,19)20)4-6(7)11(18)15-3-1-2-10(16)17/h4-5H,1-3H2,(H,15,18)(H,16,17)(H2,14,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825 BindingDB Entry DOI: 10.7270/Q2VX0KS1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50449821 (CHEMBL4168586) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(Cl)cc1Cl Show InChI InChI=1S/C11H12Cl2N2O5S/c12-7-5-8(13)9(21(14,19)20)4-6(7)11(18)15-3-1-2-10(16)17/h4-5H,1-3H2,(H,15,18)(H,16,17)(H2,14,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by fluorescent t...				Eur J Med Chem 156: 61-78 (2018) Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559
					More data for this Ligand-Target Pair