BDBM50109149 CHEMBL3601545

SMILES: Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1

InChI Key: InChIKey=PNPYBDONKBUKGZ-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50109149   

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))	BDBM50109149 (CHEMBL3601545) Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	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))	BDBM50109149 (CHEMBL3601545) Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	549	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 2 (Homo sapiens (Human))	BDBM50109149 (CHEMBL3601545) Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.43E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50109149 (CHEMBL3601545) Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+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-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