Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50171202'   

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))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA1 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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	220	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 1 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