BDBM50238781 CHEMBL4085415

SMILES: OC(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1

InChI Key: InChIKey=XAORUMDSOOAXPA-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 = 50238781   

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))	BDBM50238781 (CHEMBL4085415) Show SMILES OC(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C16H11N3O6/c20-13(9-3-1-2-4-10(9)15(22)23)17-8-5-6-12-11(7-8)14(21)19(25)16(24)18-12/h1-7,25H,(H,17,20)(H,18,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	63	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))	BDBM50238781 (CHEMBL4085415) Show SMILES OC(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C16H11N3O6/c20-13(9-3-1-2-4-10(9)15(22)23)17-8-5-6-12-11(7-8)14(21)19(25)16(24)18-12/h1-7,25H,(H,17,20)(H,18,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	745	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 (Homo sapiens (Human))	BDBM50238781 (CHEMBL4085415) Show SMILES OC(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C16H11N3O6/c20-13(9-3-1-2-4-10(9)15(22)23)17-8-5-6-12-11(7-8)14(21)19(25)16(24)18-12/h1-7,25H,(H,17,20)(H,18,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB 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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50238781 (CHEMBL4085415) Show SMILES OC(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1 Show InChI InChI=1S/C16H11N3O6/c20-13(9-3-1-2-4-10(9)15(22)23)17-8-5-6-12-11(7-8)14(21)19(25)16(24)18-12/h1-7,25H,(H,17,20)(H,18,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB 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