Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 6' and Ligand = 'BDBM50503796'   

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 6 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 by DSF-based fluorescence thermal shift assay				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 6 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				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