BDBM50248709 CHEMBL4103517

SMILES: COc1ccc(\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)c(OC)c1

InChI Key: InChIKey=LZYBXMVVYNUQIT-WNHURHGCSA-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 = 50248709   

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))	BDBM50248709 (CHEMBL4103517) Show SMILES COc1ccc(\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)c(OC)c1 |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-15-7-3-13(17(11-15)36-2)4-10-19(30)27-20-22(32)21(31)18(12-29)37-23(20)28-24(38)26-14-5-8-16(9-6-14)39(25,33)34/h3-11,18,20-23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b10-4+/t18-,20-,21-,22-,23-/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	7	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50248709 (CHEMBL4103517) Show SMILES COc1ccc(\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)c(OC)c1 |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-15-7-3-13(17(11-15)36-2)4-10-19(30)27-20-22(32)21(31)18(12-29)37-23(20)28-24(38)26-14-5-8-16(9-6-14)39(25,33)34/h3-11,18,20-23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b10-4+/t18-,20-,21-,22-,23-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				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