BDBM50211643 CHEMBL3974625

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2ccc(F)cc2)cc1

InChI Key: InChIKey=GGOKNRSYWRKUND-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50211643   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50211643 (CHEMBL3974625) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50211643 (CHEMBL3974625) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50211643 (CHEMBL3974625) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50211643 (CHEMBL3974625) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair