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SMILES: Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1

InChI Key: InChIKey=TYSNQBHFNAIYOR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50109152   

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))	BDBM50109152 (CHEMBL3601542) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	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 2 (Homo sapiens (Human))	BDBM50109152 (CHEMBL3601542) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	82	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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50109152 (CHEMBL3601542) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	121	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))	BDBM50109152 (CHEMBL3601542) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	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