Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.3 BDBM50494040

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 11 hits in this display   

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 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	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 anhydrase2 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	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 anhydrase7 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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 anhydrase12 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	208	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 anhydrase9 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	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 anhydrase14 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	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 anhydrase6 secreted isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 ...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	238	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 anhydrase1 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	678	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 anhydrase5A mitochondrial isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.55E+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 carbonic anhydrase4 membrane-bound isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.73E+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 carbonic anhydrase3 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50494040 (CHEMBL2443315) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13FN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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 anhydrase13 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair