BDBM236545 hCA inhibitor, 2

SMILES: COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=HSVLSGPNFMVFOY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 236545   

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))	BDBM236545 (hCA inhibitor, 2) Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C17H18O5/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM236545 (hCA inhibitor, 2) Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C17H18O5/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM236545 (hCA inhibitor, 2) Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C17H18O5/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair