BDBM50019533 CHEMBL3291101

SMILES: NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl

InChI Key: InChIKey=KDTDEGGSJQMILQ-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 = 50019533   

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))	BDBM50019533 (CHEMBL3291101) Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50019533 (CHEMBL3291101) Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50019533 (CHEMBL3291101) Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50019533 (CHEMBL3291101) Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair