BDBM50080145 CHEMBL3416241

SMILES: NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1

InChI Key: InChIKey=WLFDYQIISKOUGH-STZFKDTASA-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 = 50080145   

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))	BDBM50080145 (CHEMBL3416241) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1 |c:29| Show InChI InChI=1S/C25H17N3O5S/c26-34(31,32)19-12-10-18(11-13-19)28-24(16-6-2-1-3-7-16)27-21(25(28)30)14-17-15-33-22-9-5-4-8-20(22)23(17)29/h1-15H,(H2,26,31,32)/b21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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 9 (Homo sapiens (Human))	BDBM50080145 (CHEMBL3416241) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1 |c:29| Show InChI InChI=1S/C25H17N3O5S/c26-34(31,32)19-12-10-18(11-13-19)28-24(16-6-2-1-3-7-16)27-21(25(28)30)14-17-15-33-22-9-5-4-8-20(22)23(17)29/h1-15H,(H2,26,31,32)/b21-14-	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	23	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 2 (Homo sapiens (Human))	BDBM50080145 (CHEMBL3416241) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1 |c:29| Show InChI InChI=1S/C25H17N3O5S/c26-34(31,32)19-12-10-18(11-13-19)28-24(16-6-2-1-3-7-16)27-21(25(28)30)14-17-15-33-22-9-5-4-8-20(22)23(17)29/h1-15H,(H2,26,31,32)/b21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080145 (CHEMBL3416241) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1 |c:29| Show InChI InChI=1S/C25H17N3O5S/c26-34(31,32)19-12-10-18(11-13-19)28-24(16-6-2-1-3-7-16)27-21(25(28)30)14-17-15-33-22-9-5-4-8-20(22)23(17)29/h1-15H,(H2,26,31,32)/b21-14-	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	8.00E+3	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