BDBM50167370 CHEMBL189729::N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=QCMRLXGPAVYMQC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50167370   

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))	BDBM50167370 (CHEMBL189729 | N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H19BN4O5S2/c1-14(2)15(3,4)25-16(24-14)10-7-5-9(6-8-10)11(21)18-12-19-20-13(26-12)27(17,22)23/h5-8H,1-4H3,(H2,17,22,23)(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10	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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50167370 (CHEMBL189729 | N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H19BN4O5S2/c1-14(2)15(3,4)25-16(24-14)10-7-5-9(6-8-10)11(21)18-12-19-20-13(26-12)27(17,22)23/h5-8H,1-4H3,(H2,17,22,23)(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.60	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 1 (Homo sapiens (Human))	BDBM50167370 (CHEMBL189729 | N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-...) Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H19BN4O5S2/c1-14(2)15(3,4)25-16(24-14)10-7-5-9(6-8-10)11(21)18-12-19-20-13(26-12)27(17,22)23/h5-8H,1-4H3,(H2,17,22,23)(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	36	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