BDBM50147756 CHEMBL3763255

SMILES: COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O

InChI Key: InChIKey=HUMSEJOWKKKARF-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 = 50147756   

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))	BDBM50147756 (CHEMBL3763255) Show SMILES COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-4-2-3-11-13(12)17-15(23)18(14(11)19)9-5-7-10(8-6-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)	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	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50147756 (CHEMBL3763255) Show SMILES COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-4-2-3-11-13(12)17-15(23)18(14(11)19)9-5-7-10(8-6-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50147756 (CHEMBL3763255) Show SMILES COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-4-2-3-11-13(12)17-15(23)18(14(11)19)9-5-7-10(8-6-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50147756 (CHEMBL3763255) Show SMILES COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-4-2-3-11-13(12)17-15(23)18(14(11)19)9-5-7-10(8-6-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)	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	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair