BDBM50035218 CHEMBL61::PODOFILOX::Podophyllinic acid lactone::Podophyllotoxin (PTOX)::podophyllotoxin

SMILES: COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12

InChI Key: InChIKey=YJGVMLPVUAXIQN-UHFFFAOYSA-N

Data: 1 KI  38 IC50  6 Kd  1 ITC

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 45 hits for monomerid = 50035218   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Regulatory protein E2 (Human papillomavirus type 1a)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Regulatory protein E2 (Human papillomavirus type 1a)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Regulatory protein E2 (Human papillomavirus type 1a)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Regulatory protein E2 (Human papillomavirus type 1a)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Regulatory protein E2 (Human papillomavirus type 11)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Regulatory protein E2 (Human papillomavirus type 16)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7.05E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Sheep)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mouse)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Human)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta-2B chain (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Human)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	45.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 0 group B member 1 (Human)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 0 group B member 1 (Human)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Human)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Human)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Sheep)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mouse)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Human)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tubulin beta chain (Pig)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...) Show SMILES Show InChI	GoogleScholar	UniChem		2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50035218

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Tubulin (Bovine)	BDBM50035218 (podophyllotoxin | CHEMBL61 | Podophyllinic acid la...)	GoogleScholar			-260	-74.6	-185	3.95	n/a	30
TBA					Details of this binding reaction