null

SMILES: OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12

InChI Key: InChIKey=YSKAMRMNCLLBOC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50502609   

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))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	342	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 12 (Homo sapiens (Human))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	404	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 9 (Homo sapiens (Human))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	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))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.89E+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 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))	BDBM50502609 (CHEMBL4464046) Show SMILES OB1OCc2ccc(NC(=O)CCC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C18H18B2N2O6/c23-17(21-13-3-1-11-9-27-19(25)15(11)7-13)5-6-18(24)22-14-4-2-12-10-28-20(26)16(12)8-14/h1-4,7-8,25-26H,5-6,9-10H2,(H,21,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.24E+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