BDBM50190142 CHEMBL3828241

SMILES: COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O

InChI Key: InChIKey=ALESKEGPRSQLON-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50190142   

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))	BDBM50190142 (CHEMBL3828241) Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50190142 (CHEMBL3828241) Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50190142 (CHEMBL3828241) Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	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	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair