BDBM50235682 CHEMBL4084349

SMILES: CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1

InChI Key: InChIKey=WSBTVVMUGWIFBV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50235682   

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))	BDBM50235682 (CHEMBL4084349) Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41)	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	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50235682 (CHEMBL4084349) Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50235682 (CHEMBL4084349) Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41)	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	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair