null

SMILES: Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=RNPDTYBCYKNNMD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50109153   

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))	BDBM50109153 (CHEMBL3601541) Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	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))	BDBM50109153 (CHEMBL3601541) Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	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))	BDBM50109153 (CHEMBL3601541) Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(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	113	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))	BDBM50109153 (CHEMBL3601541) Show SMILES Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(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	>1.00E+4	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