BDBM50211511 CHEMBL3969743

SMILES: Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1

InChI Key: InChIKey=IYHFLOKFAYJIGD-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 = 50211511   

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))	BDBM50211511 (CHEMBL3969743) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	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 7 (Homo sapiens (Human))	BDBM50211511 (CHEMBL3969743) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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))	BDBM50211511 (CHEMBL3969743) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	405	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
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50211511 (CHEMBL3969743) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	442	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