BDBM50363533 CHEMBL593037

SMILES: COc1cc2Cc3c([nH]c4ccccc34)-c2c(OC)c1

InChI Key: InChIKey=MMBFXDAGMDPGOJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50363533   

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))	BDBM50363533 (CHEMBL593037) Show SMILES COc1cc2Cc3c([nH]c4ccccc34)-c2c(OC)c1 Show InChI InChI=1S/C17H15NO2/c1-19-11-7-10-8-13-12-5-3-4-6-14(12)18-17(13)16(10)15(9-11)20-2/h3-7,9,18H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50363533 (CHEMBL593037) Show SMILES COc1cc2Cc3c([nH]c4ccccc34)-c2c(OC)c1 Show InChI InChI=1S/C17H15NO2/c1-19-11-7-10-8-13-12-5-3-4-6-14(12)18-17(13)16(10)15(9-11)20-2/h3-7,9,18H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50363533 (CHEMBL593037) Show SMILES COc1cc2Cc3c([nH]c4ccccc34)-c2c(OC)c1 Show InChI InChI=1S/C17H15NO2/c1-19-11-7-10-8-13-12-5-3-4-6-14(12)18-17(13)16(10)15(9-11)20-2/h3-7,9,18H,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50363533 (CHEMBL593037) Show SMILES COc1cc2Cc3c([nH]c4ccccc34)-c2c(OC)c1 Show InChI InChI=1S/C17H15NO2/c1-19-11-7-10-8-13-12-5-3-4-6-14(12)18-17(13)16(10)15(9-11)20-2/h3-7,9,18H,8H2,1-2H3	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	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (CA III) (Bos taurus (Cattle))	BDBM50363533 (CHEMBL593037) Show SMILES COc1cc2Cc3c([nH]c4ccccc34)-c2c(OC)c1 Show InChI InChI=1S/C17H15NO2/c1-19-11-7-10-8-13-12-5-3-4-6-14(12)18-17(13)16(10)15(9-11)20-2/h3-7,9,18H,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analys...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair