BDBM50143943 CHEMBL3759375

SMILES: Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1

InChI Key: InChIKey=KPSNSIQILVDOIA-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 = 50143943   

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))	BDBM50143943 (CHEMBL3759375) Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara 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: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143943 (CHEMBL3759375) Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara 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: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143943 (CHEMBL3759375) Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara 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: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143943 (CHEMBL3759375) Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara 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: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair