BDBM50185302 CHEMBL3823618

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1

InChI Key: InChIKey=OCQNLRXYCLHTBY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50185302   

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 9 (Homo sapiens (Human))	BDBM50185302 (CHEMBL3823618) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1 Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)	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	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50185302 (CHEMBL3823618) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1 Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50185302 (CHEMBL3823618) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1 Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50185302 (CHEMBL3823618) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1 Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50185302 (CHEMBL3823618) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1 Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50185302 (CHEMBL3823618) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1 Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)	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	PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair