Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50171206'   

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 12 (Homo sapiens (Human))	BDBM50171206 (CHEMBL3805919) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C17H14BrN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50171206 (CHEMBL3805919) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C17H14BrN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112897 BindingDB Entry DOI: 10.7270/Q2183B6N
					More data for this Ligand-Target Pair