BDBM50143814 CHEMBL3758784

SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(I)cc1

InChI Key: InChIKey=NTTWKWJVMNAIGH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50143814   

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 2 (Homo sapiens (Human))	BDBM50143814 (CHEMBL3758784) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(I)cc1 Show InChI InChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(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	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143814 (CHEMBL3758784) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(I)cc1 Show InChI InChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(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	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair