BDBM50248719 CHEMBL4096770

SMILES: COc1cc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC

InChI Key: InChIKey=ODEJYCYRHNKSKI-MDEQTWOKSA-N

Data: 2 IC50

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 2 hits for monomerid = 50248719   

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 2 (Homo sapiens (Human))	BDBM50248719 (CHEMBL4096770) Show SMILES COc1cc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC |r| Show InChI InChI=1S/C25H32N4O10S2/c1-36-16-10-13(11-17(37-2)23(16)38-3)4-9-19(31)28-20-22(33)21(32)18(12-30)39-24(20)29-25(40)27-14-5-7-15(8-6-14)41(26,34)35/h4-11,18,20-22,24,30,32-33H,12H2,1-3H3,(H,28,31)(H2,26,34,35)(H2,27,29,40)/b9-4+/t18-,20-,21-,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr...				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50248719 (CHEMBL4096770) Show SMILES COc1cc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC |r| Show InChI InChI=1S/C25H32N4O10S2/c1-36-16-10-13(11-17(37-2)23(16)38-3)4-9-19(31)28-20-22(33)21(32)18(12-30)39-24(20)29-25(40)27-14-5-7-15(8-6-14)41(26,34)35/h4-11,18,20-22,24,30,32-33H,12H2,1-3H3,(H,28,31)(H2,26,34,35)(H2,27,29,40)/b9-4+/t18-,20-,21-,22-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr...				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
					More data for this Ligand-Target Pair