BDBM50428446 CHEMBL272458

SMILES: Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1

InChI Key: InChIKey=LIGADXZFSJCTPD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50428446   

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))	BDBM50428446 (CHEMBL272458) Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428446 (CHEMBL272458) Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3	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	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428446 (CHEMBL272458) Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428446 (CHEMBL272458) Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3	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	7.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair