BDBM50133409 CHEMBL3632845

SMILES: Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=OAKZJHWEHHAVPE-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50133409   

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 XIV (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	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	589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	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	589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020)
					More data for this Ligand-Target Pair