BDBM50116581 CHEMBL3609475

SMILES: COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=DGIDUHYNYYNKIT-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 = 50116581   

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))	BDBM50116581 (CHEMBL3609475) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116581 (CHEMBL3609475) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116581 (CHEMBL3609475) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116581 (CHEMBL3609475) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair