BDBM50511548 CHEMBL4449082

SMILES: C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C

InChI Key: InChIKey=KZUPFZKALLNBBV-UHFFFAOYSA-N

Data: 18 IC50

PDB links: 1 PDB ID matches this monomer.

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 18 hits for monomerid = 50511548   

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
Cytochrome P450 3A4 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Poly [ADP-ribose] polymerase 2 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2B6 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Protein mono-ADP-ribosyltransferase PARP10 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50511548 (CHEMBL4449082) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair