BDBM50209890 CHEMBL3884122

SMILES: NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1

InChI Key: InChIKey=YBSYHFKOEIPBKS-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 = 50209890   

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 (Homo sapiens (Human))	BDBM50209890 (CHEMBL3884122) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1 Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50209890 (CHEMBL3884122) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1 Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209890 (CHEMBL3884122) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1 Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50209890 (CHEMBL3884122) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1 Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair