BDBM50238779 CHEMBL4087893

SMILES: Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1

InChI Key: InChIKey=ANRCMBILHMBKPA-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 = 50238779   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50238779 (CHEMBL4087893) Show SMILES Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C8H7N3O3/c9-4-1-2-6-5(3-4)7(12)11(14)8(13)10-6/h1-3,14H,9H2,(H,10,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	273	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 recombinant human carbonic anhydrase 9 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay				J Med Chem 60: 6428-6439 (2017) Article DOI: 10.1021/acs.jmedchem.7b00766 BindingDB Entry DOI: 10.7270/Q2GT5QG3
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50238779 (CHEMBL4087893) Show SMILES Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C8H7N3O3/c9-4-1-2-6-5(3-4)7(12)11(14)8(13)10-6/h1-3,14H,9H2,(H,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	724	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 recombinant human carbonic anhydrase 12 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay				J Med Chem 60: 6428-6439 (2017) Article DOI: 10.1021/acs.jmedchem.7b00766 BindingDB Entry DOI: 10.7270/Q2GT5QG3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50238779 (CHEMBL4087893) Show SMILES Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C8H7N3O3/c9-4-1-2-6-5(3-4)7(12)11(14)8(13)10-6/h1-3,14H,9H2,(H,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay				J Med Chem 60: 6428-6439 (2017) Article DOI: 10.1021/acs.jmedchem.7b00766 BindingDB Entry DOI: 10.7270/Q2GT5QG3
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50238779 (CHEMBL4087893) Show SMILES Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C8H7N3O3/c9-4-1-2-6-5(3-4)7(12)11(14)8(13)10-6/h1-3,14H,9H2,(H,10,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 recombinant human carbonic anhydrase 1 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay				J Med Chem 60: 6428-6439 (2017) Article DOI: 10.1021/acs.jmedchem.7b00766 BindingDB Entry DOI: 10.7270/Q2GT5QG3
					More data for this Ligand-Target Pair