BDBM50312677 CHEMBL1076673::Podophyllotoxinyl 4-[4-{5-(dimethylamino)naphthalene-1-sulfonamido}benzylamino]-4-oxobutanoate

SMILES: COc1cc(cc(OC)c1OC)[C@@H]1[C@H]2[C@@H](COC2=O)[C@H](OC(=O)CCC(=O)NCc2ccc(NS(=O)(=O)c3cccc4c(cccc34)N(C)C)cc2)c2cc3OCOc3cc12

InChI Key: InChIKey=MRGXTHHOSIIBES-DMSSETKZSA-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 = 50312677   

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
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50312677 (CHEMBL1076673 | Podophyllotoxinyl 4-[4-{5-(dimethy...) Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1[C@H]2[C@@H](COC2=O)[C@H](OC(=O)CCC(=O)NCc2ccc(NS(=O)(=O)c3cccc4c(cccc34)N(C)C)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C45H45N3O12S/c1-48(2)33-10-6-9-29-28(33)8-7-11-38(29)61(52,53)47-27-14-12-25(13-15-27)22-46-39(49)16-17-40(50)60-43-31-21-35-34(58-24-59-35)20-30(31)41(42-32(43)23-57-45(42)51)26-18-36(54-3)44(56-5)37(19-26)55-4/h6-15,18-21,32,41-43,47H,16-17,22-24H2,1-5H3,(H,46,49)/t32-,41+,42-,43-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX2				Bioorg Med Chem Lett 20: 1787-91 (2010) Article DOI: 10.1016/j.bmcl.2010.01.009 BindingDB Entry DOI: 10.7270/Q2J966H5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50312677 (CHEMBL1076673 | Podophyllotoxinyl 4-[4-{5-(dimethy...) Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1[C@H]2[C@@H](COC2=O)[C@H](OC(=O)CCC(=O)NCc2ccc(NS(=O)(=O)c3cccc4c(cccc34)N(C)C)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C45H45N3O12S/c1-48(2)33-10-6-9-29-28(33)8-7-11-38(29)61(52,53)47-27-14-12-25(13-15-27)22-46-39(49)16-17-40(50)60-43-31-21-35-34(58-24-59-35)20-30(31)41(42-32(43)23-57-45(42)51)26-18-36(54-3)44(56-5)37(19-26)55-4/h6-15,18-21,32,41-43,47H,16-17,22-24H2,1-5H3,(H,46,49)/t32-,41+,42-,43-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 20: 1787-91 (2010) Article DOI: 10.1016/j.bmcl.2010.01.009 BindingDB Entry DOI: 10.7270/Q2J966H5
					More data for this Ligand-Target Pair