Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50097302'   

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))	BDBM50097302 (CHEMBL416410 | [Carboxymethyl-(2-{carboxymethyl-[2...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C19H30N8O12S2/c20-41(38,39)19-24-23-18(40-19)22-12(28)1-2-21-13(29)7-26(9-15(32)33)5-3-25(8-14(30)31)4-6-27(10-16(34)35)11-17(36)37/h1-11H2,(H,21,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,20,38,39)(H,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	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 Inhibitory activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50097302 (CHEMBL416410 | [Carboxymethyl-(2-{carboxymethyl-[2...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C19H30N8O12S2/c20-41(38,39)19-24-23-18(40-19)22-12(28)1-2-21-13(29)7-26(9-15(32)33)5-3-25(8-14(30)31)4-6-27(10-16(34)35)11-17(36)37/h1-11H2,(H,21,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,20,38,39)(H,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase I				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair