Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50067990'   

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))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	415	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 erythrocyte carbonic anhydrase 1 preincubated for 15 mins prior to testing by bromothymol blue-based stopped-flow CO2 hydration a...				Bioorg Med Chem 25: 1260-1265 (2017) Article DOI: 10.1016/j.bmc.2016.12.040 BindingDB Entry DOI: 10.7270/Q2BP04SK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	415	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 carbonic anhydrase 1 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair