BDBM50367287 CHEMBL4168368

SMILES: Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12

InChI Key: InChIKey=DKDQZTRRMYSVQA-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 = 50367287   

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 12 (Homo sapiens (Human))	BDBM50367287 (CHEMBL4168368) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12 Show InChI InChI=1S/C21H16O5/c1-11-3-5-13(6-4-11)17-10-25-18-9-19-14(7-16(17)18)12(2)15(8-20(22)23)21(24)26-19/h3-7,9-10H,8H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50367287 (CHEMBL4168368) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12 Show InChI InChI=1S/C21H16O5/c1-11-3-5-13(6-4-11)17-10-25-18-9-19-14(7-16(17)18)12(2)15(8-20(22)23)21(24)26-19/h3-7,9-10H,8H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50367287 (CHEMBL4168368) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12 Show InChI InChI=1S/C21H16O5/c1-11-3-5-13(6-4-11)17-10-25-18-9-19-14(7-16(17)18)12(2)15(8-20(22)23)21(24)26-19/h3-7,9-10H,8H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 1 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50367287 (CHEMBL4168368) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12 Show InChI InChI=1S/C21H16O5/c1-11-3-5-13(6-4-11)17-10-25-18-9-19-14(7-16(17)18)12(2)15(8-20(22)23)21(24)26-19/h3-7,9-10H,8H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair