BDBM50125681 CHEMBL3623670

SMILES: Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1

InChI Key: InChIKey=ZSCKAXRHIRDYSA-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 = 50125681   

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))	BDBM50125681 (CHEMBL3623670) Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125681 (CHEMBL3623670) Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2	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	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50125681 (CHEMBL3623670) Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2	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	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125681 (CHEMBL3623670) Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair