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SMILES: OB1OCc2ccc(cc12)C(O)=O

InChI Key: InChIKey=VXDGEAYKTHEYPI-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50502612   

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))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50502612 (CHEMBL4539935) Show SMILES OB1OCc2ccc(cc12)C(O)=O Show InChI InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252
					More data for this Ligand-Target Pair