BDBM50258733 6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide::CHEMBL468105

SMILES: COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O

InChI Key: InChIKey=GRCLVIQEAYEYKM-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 = 50258733   

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))	BDBM50258733 (6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...) Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 2 by stopped flow CO2 hydration method				Bioorg Med Chem 17: 3659-64 (2009) Article DOI: 10.1016/j.bmc.2009.03.066 BindingDB Entry DOI: 10.7270/Q21R6RFQ
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50258733 (6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...) Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method				Bioorg Med Chem 17: 3659-64 (2009) Article DOI: 10.1016/j.bmc.2009.03.066 BindingDB Entry DOI: 10.7270/Q21R6RFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50258733 (6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...) Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)	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	6.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydration method				Bioorg Med Chem 17: 3659-64 (2009) Article DOI: 10.1016/j.bmc.2009.03.066 BindingDB Entry DOI: 10.7270/Q21R6RFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258733 (6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...) Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)	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	7.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method				Bioorg Med Chem 17: 3659-64 (2009) Article DOI: 10.1016/j.bmc.2009.03.066 BindingDB Entry DOI: 10.7270/Q21R6RFQ
					More data for this Ligand-Target Pair