null

SMILES: OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1

InChI Key: InChIKey=BTZBYLGUPBBXFY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50125679   

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))	BDBM50125679 (CHEMBL3623671) Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125679 (CHEMBL3623671) Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125679 (CHEMBL3623671) Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50125679 (CHEMBL3623671) Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair