BDBM50241464 4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide::CHEMBL261632

SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(N)cc4)cc3)Cc2cc1OC

InChI Key: InChIKey=IPGHATJIKSKXQN-UHFFFAOYSA-N

Data: 6 IC50  1 Kd

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 7 hits for monomerid = 50241464   

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
BDBM197310 (SAMPL5, CBClip) Show SMILES Show InChI	BDBM50241464 (4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES Show InChI	UniChem	UniChem		n/a	n/a	n/a	25	n/a	n/a	n/a	11.5	4.85
									Citation and Details
TBA					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50241464 (4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50241464 (4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50241464 (4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50241464 (4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50241464 (4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50241464 (4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair