null

SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1

InChI Key: InChIKey=RMQDZBWHFFNTJD-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50502606   

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 9 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	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 12 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	660	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 1 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	813	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 2 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	908	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 4 (Homo sapiens (Human))	BDBM50502606 (CHEMBL4539159) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r| Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.56E+4	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