BDBM50171199 CHEMBL2316106

SMILES: NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2ccccc2oc1=O

InChI Key: InChIKey=BIBMGOMAPOAXCH-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 = 50171199   

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))	BDBM50171199 (CHEMBL2316106) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H11N3O4S2/c19-27(23,24)11-5-6-14-16(8-11)26-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)25-17(12)22/h1-9H,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	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))	BDBM50171199 (CHEMBL2316106) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H11N3O4S2/c19-27(23,24)11-5-6-14-16(8-11)26-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)25-17(12)22/h1-9H,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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 2 (Homo sapiens (Human))	BDBM50171199 (CHEMBL2316106) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H11N3O4S2/c19-27(23,24)11-5-6-14-16(8-11)26-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)25-17(12)22/h1-9H,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	214	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171199 (CHEMBL2316106) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H11N3O4S2/c19-27(23,24)11-5-6-14-16(8-11)26-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)25-17(12)22/h1-9H,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	222	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