BDBM50109268 CHEMBL3601537

SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1

InChI Key: InChIKey=YODKCZPCWVRTCE-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 5 hits for monomerid = 50109268   

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 12 (Homo sapiens (Human))	BDBM50109268 (CHEMBL3601537) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(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 Similars	PubMed	1.10	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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50109268 (CHEMBL3601537) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(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 Similars	PubMed	9.10	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 recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50109268 (CHEMBL3601537) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(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 Similars	PubMed	114	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 recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50109268 (CHEMBL3601537) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(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 Similars	PubMed	282	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 recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50109268 (CHEMBL3601537) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(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 Similars		1.63E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair