BDBM50381331 CHEMBL2019147

SMILES: COc1ccc(cc1OC)-c1c(N)oc2cc(Cl)ccc2c1=O

InChI Key: InChIKey=FAHOBSMKRBECOZ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50381331   

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))	BDBM50381331 (CHEMBL2019147) Show SMILES COc1ccc(cc1OC)-c1c(N)oc2cc(Cl)ccc2c1=O Show InChI InChI=1S/C17H14ClNO4/c1-21-12-6-3-9(7-14(12)22-2)15-16(20)11-5-4-10(18)8-13(11)23-17(15)19/h3-8H,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50381331 (CHEMBL2019147) Show SMILES COc1ccc(cc1OC)-c1c(N)oc2cc(Cl)ccc2c1=O Show InChI InChI=1S/C17H14ClNO4/c1-21-12-6-3-9(7-14(12)22-2)15-16(20)11-5-4-10(18)8-13(11)23-17(15)19/h3-8H,19H2,1-2H3	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	n/a	n/a	5.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T
					More data for this Ligand-Target Pair