Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 3' and Ligand = 'BDBM50503789'   

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 3 (Homo sapiens (Human))	BDBM50503789 (CHEMBL4452277) Show SMILES Cc1cc(N2CC(CC2=O)C(O)=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C13H15ClN2O5S/c1-6-3-9(11(14)7(2)12(6)22(15,20)21)16-5-8(13(18)19)4-10(16)17/h3,8H,4-5H2,1-2H3,(H,18,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6x-tagged human CA3 (4 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic d...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM50503789 (CHEMBL4452277) Show SMILES Cc1cc(N2CC(CC2=O)C(O)=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C13H15ClN2O5S/c1-6-3-9(11(14)7(2)12(6)22(15,20)21)16-5-8(13(18)19)4-10(16)17/h3,8H,4-5H2,1-2H3,(H,18,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CA3 assessed as intrinsic dissociation constant by thermal shift assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116140 BindingDB Entry DOI: 10.7270/Q2TM7FWZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM50503789 (CHEMBL4452277) Show SMILES Cc1cc(N2CC(CC2=O)C(O)=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C13H15ClN2O5S/c1-6-3-9(11(14)7(2)12(6)22(15,20)21)16-5-8(13(18)19)4-10(16)17/h3,8H,4-5H2,1-2H3,(H,18,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6x-tagged human CA3 (4 to 260 residues) expressed in Escherichia coli BL21(DE3) by DSF-based fluorescen...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair