null

SMILES: Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=IRAQSPAOBMLQJA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50109151   

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 12 (Homo sapiens (Human))	BDBM50109151 (CHEMBL3601543) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50109151 (CHEMBL3601543) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50109151 (CHEMBL3601543) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50109151 (CHEMBL3601543) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair