Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM50380143 (CHEMBL2010998) Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM50380143 (CHEMBL2010998) Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM50380143 (CHEMBL2010998) Show SMILES Cc1cc(C)nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)

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