BDBM50528165 CHEMBL4543084

SMILES: NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1

InChI Key: InChIKey=JYQGMEIZPFBRJR-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50528165   

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 V (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 5B preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 5A preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135
					More data for this Ligand-Target Pair