BDBM50167367 (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylsulfamide::CHEMBL190447::N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aminosulfonamide::N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide

SMILES: CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1

InChI Key: InChIKey=YQWUJQMJCQBCRA-UHFFFAOYSA-N

Data: 16 KI

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 16 hits for monomerid = 50167367   

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 XIV (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human recombinant carbonic anhydrase II				Bioorg Med Chem Lett 15: 3302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.058 BindingDB Entry DOI: 10.7270/Q2C828V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase 5b preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human recombinant carbonic anhydrase IX catalytic domain				Bioorg Med Chem Lett 15: 3302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.058 BindingDB Entry DOI: 10.7270/Q2C828V2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase 5a preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length mouse carbonic anhydrase 15 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition constant against human recombinant carbonic anhydrase I				Bioorg Med Chem Lett 15: 3302-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.058 BindingDB Entry DOI: 10.7270/Q2C828V2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	749	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	994	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length mouse carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	8.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50167367 ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	8.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 20: 3601-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.114 BindingDB Entry DOI: 10.7270/Q2NV9K7Q
					More data for this Ligand-Target Pair