BDBM50363534 CHEMBL608978

SMILES: C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1

InChI Key: InChIKey=YUOJWSJWXUSNJG-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 = 50363534   

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))	BDBM50363534 (CHEMBL608978) Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1 Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.44E+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))	BDBM50363534 (CHEMBL608978) Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1 Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.34E+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))	BDBM50363534 (CHEMBL608978) Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1 Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.64E+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 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 3 (CA III) (Bos taurus (Cattle))	BDBM50363534 (CHEMBL608978) Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1 Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50363534 (CHEMBL608978) Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1 Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2	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	1.63E+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