Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50125570'   

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))	BDBM50125570 (CHEMBL3623632) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(12-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-8-10-20(11-9-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair