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SMILES: OB1OCc2ccccc12

InChI Key: InChIKey=XOQABDOICLHPIS-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 9 hits for monomerid = 50260103   

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 (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup Curated by ChEMBL					Assay Description Inhibition of human CA1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5064-5067 (2017) Article DOI: 10.1016/j.bmc.2016.10.023 BindingDB Entry DOI: 10.7270/Q24170HK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars		8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1194-1198 (2017) Article DOI: 10.1021/acsmedchemlett.7b00369 BindingDB Entry DOI: 10.7270/Q2SN0CHK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup Curated by ChEMBL					Assay Description Inhibition of human CA2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5064-5067 (2017) Article DOI: 10.1016/j.bmc.2016.10.023 BindingDB Entry DOI: 10.7270/Q24170HK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5064-5067 (2017) Article DOI: 10.1016/j.bmc.2016.10.023 BindingDB Entry DOI: 10.7270/Q24170HK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50260103 (Benzo[C][1,2]Oxaborol-1(3H)-Ol | Benzoxaborole | C...) Show SMILES OB1OCc2ccccc12 Show InChI InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5064-5067 (2017) Article DOI: 10.1016/j.bmc.2016.10.023 BindingDB Entry DOI: 10.7270/Q24170HK
					More data for this Ligand-Target Pair