BDBM50211509 CHEMBL3979377

SMILES: COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=ZIKSBMQYHZNLAC-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 = 50211509   

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))	BDBM50211509 (CHEMBL3979377) Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	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))	BDBM50211509 (CHEMBL3979377) Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	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 4 (Homo sapiens (Human))	BDBM50211509 (CHEMBL3979377) Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	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 1 (Homo sapiens (Human))	BDBM50211509 (CHEMBL3979377) Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.71E+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