BDBM50171201 CHEMBL2316108

SMILES: NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2cc(Br)ccc2oc1=O

InChI Key: InChIKey=AWNHWELMVPGCNN-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 = 50171201   

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))	BDBM50171201 (CHEMBL2316108) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C18H10BrN3O4S2/c19-10-1-4-15-9(5-10)6-12(17(23)26-15)13-8-22-14-3-2-11(28(20,24)25)7-16(14)27-18(22)21-13/h1-8H,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	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))	BDBM50171201 (CHEMBL2316108) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C18H10BrN3O4S2/c19-10-1-4-15-9(5-10)6-12(17(23)26-15)13-8-22-14-3-2-11(28(20,24)25)7-16(14)27-18(22)21-13/h1-8H,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	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))	BDBM50171201 (CHEMBL2316108) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C18H10BrN3O4S2/c19-10-1-4-15-9(5-10)6-12(17(23)26-15)13-8-22-14-3-2-11(28(20,24)25)7-16(14)27-18(22)21-13/h1-8H,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	105	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))	BDBM50171201 (CHEMBL2316108) Show SMILES NS(=O)(=O)c1ccc2c(c1)sc1nc(cn21)-c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C18H10BrN3O4S2/c19-10-1-4-15-9(5-10)6-12(17(23)26-15)13-8-22-14-3-2-11(28(20,24)25)7-16(14)27-18(22)21-13/h1-8H,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	226	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