BDBM50171196 CHEMBL3805861

SMILES: NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1

InChI Key: InChIKey=XSNHMAOMNGCPPA-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 = 50171196   

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 12 (Homo sapiens (Human))	BDBM50171196 (CHEMBL3805861) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C18H13N3O4S2/c19-27(23,24)13-7-5-12(6-8-13)20-18-21-15(10-26-18)14-9-11-3-1-2-4-16(11)25-17(14)22/h1-10H,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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 human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50171196 (CHEMBL3805861) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C18H13N3O4S2/c19-27(23,24)13-7-5-12(6-8-13)20-18-21-15(10-26-18)14-9-11-3-1-2-4-16(11)25-17(14)22/h1-10H,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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 human carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171196 (CHEMBL3805861) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C18H13N3O4S2/c19-27(23,24)13-7-5-12(6-8-13)20-18-21-15(10-26-18)14-9-11-3-1-2-4-16(11)25-17(14)22/h1-10H,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	292	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 human carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171196 (CHEMBL3805861) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C18H13N3O4S2/c19-27(23,24)13-7-5-12(6-8-13)20-18-21-15(10-26-18)14-9-11-3-1-2-4-16(11)25-17(14)22/h1-10H,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	341	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 human carbonic anhydrase 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair