BDBM50080155 CHEMBL3416237

SMILES: O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)S\C1=C\c1coc2ccccc2c1=O

InChI Key: InChIKey=LCQLARXJLORNLV-XDHOZWIPSA-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 = 50080155   

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))	BDBM50080155 (CHEMBL3416237) Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)S\C1=C\c1coc2ccccc2c1=O |t:2| Show InChI InChI=1S/C23H15N5O5S2/c29-20-14(13-33-18-5-2-1-4-17(18)20)12-19-21(30)27-23(34-19)26-15-6-8-16(9-7-15)35(31,32)28-22-24-10-3-11-25-22/h1-13H,(H,24,25,28)(H,26,27,30)/b19-12+	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	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50080155 (CHEMBL3416237) Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)S\C1=C\c1coc2ccccc2c1=O |t:2| Show InChI InChI=1S/C23H15N5O5S2/c29-20-14(13-33-18-5-2-1-4-17(18)20)12-19-21(30)27-23(34-19)26-15-6-8-16(9-7-15)35(31,32)28-22-24-10-3-11-25-22/h1-13H,(H,24,25,28)(H,26,27,30)/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080155 (CHEMBL3416237) Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)S\C1=C\c1coc2ccccc2c1=O |t:2| Show InChI InChI=1S/C23H15N5O5S2/c29-20-14(13-33-18-5-2-1-4-17(18)20)12-19-21(30)27-23(34-19)26-15-6-8-16(9-7-15)35(31,32)28-22-24-10-3-11-25-22/h1-13H,(H,24,25,28)(H,26,27,30)/b19-12+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human cytosolic form of carbonic anhydrase-1 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50080155 (CHEMBL3416237) Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)S\C1=C\c1coc2ccccc2c1=O |t:2| Show InChI InChI=1S/C23H15N5O5S2/c29-20-14(13-33-18-5-2-1-4-17(18)20)12-19-21(30)27-23(34-19)26-15-6-8-16(9-7-15)35(31,32)28-22-24-10-3-11-25-22/h1-13H,(H,24,25,28)(H,26,27,30)/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human cytosolic form of carbonic anhydrase-2 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair