BDBM50054650 CHEMBL3323205

SMILES: NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=RPRQANPMHNCYGO-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 = 50054650   

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))	BDBM50054650 (CHEMBL3323205) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054650 (CHEMBL3323205) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054650 (CHEMBL3323205) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50054650 (CHEMBL3323205) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair