Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50337755'   

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))	BDBM50337755 (5-(((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-...) Show SMILES Cn1nc(sc1=NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C)S(N)(=O)=O |r,w:6.7| Show InChI InChI=1S/C13H20N4O5S3/c1-12(2)8-4-5-13(12,9(18)6-8)7-24(19,20)16-10-17(3)15-11(23-10)25(14,21)22/h8H,4-7H2,1-3H3,(H2,14,21,22)/t8?,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 cytosolic isoform by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 1334-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.050 BindingDB Entry DOI: 10.7270/Q2930TF6
					More data for this Ligand-Target Pair