Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50125367'   

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))	BDBM50125367 (CHEMBL3623640) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.89E+3	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