BDBM50500703 CHEMBL3752163

SMILES: NS(=O)(=O)c1ccc(Nc2ncc3CSc4cc(Cl)ccc4-c3n2)cc1

InChI Key: InChIKey=VARBZMKGVIDKRK-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 = 50500703   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50500703 (CHEMBL3752163) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3CSc4cc(Cl)ccc4-c3n2)cc1 Show InChI InChI=1S/C17H13ClN4O2S2/c18-11-1-6-14-15(7-11)25-9-10-8-20-17(22-16(10)14)21-12-2-4-13(5-3-12)26(19,23)24/h1-8H,9H2,(H2,19,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50500703 (CHEMBL3752163) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3CSc4cc(Cl)ccc4-c3n2)cc1 Show InChI InChI=1S/C17H13ClN4O2S2/c18-11-1-6-14-15(7-11)25-9-10-8-20-17(22-16(10)14)21-12-2-4-13(5-3-12)26(19,23)24/h1-8H,9H2,(H2,19,23,24)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50500703 (CHEMBL3752163) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3CSc4cc(Cl)ccc4-c3n2)cc1 Show InChI InChI=1S/C17H13ClN4O2S2/c18-11-1-6-14-15(7-11)25-9-10-8-20-17(22-16(10)14)21-12-2-4-13(5-3-12)26(19,23)24/h1-8H,9H2,(H2,19,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50500703 (CHEMBL3752163) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3CSc4cc(Cl)ccc4-c3n2)cc1 Show InChI InChI=1S/C17H13ClN4O2S2/c18-11-1-6-14-15(7-11)25-9-10-8-20-17(22-16(10)14)21-12-2-4-13(5-3-12)26(19,23)24/h1-8H,9H2,(H2,19,23,24)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair