BDBM50295071 (S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamido)acetamido)-3-phenylpropanamido)-N-((S)-1-((S)-1-((S)-1-(3,5-bis(trifluoromethyl)benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-1-oxo-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)propan-2-yl)hexanamide::CHEMBL538131

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=BLKHBPBPTMODSH-UHFFFAOYSA-N

Data: 3 KI  6 IC50  2 EC50

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 11 hits for monomerid = 50295071   

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
Mu-type opioid receptor (Rat)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) 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
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Substance-P receptor (Human)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Delta-type opioid receptor (Human)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Human)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rat)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
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Delta-type opioid receptor (Mouse)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Mu-type opioid receptor (Guinea pig)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	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
Substance-P receptor (Rat)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		23	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
Mu-type opioid receptor (Rat)	BDBM50295071 ((S)-2-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyph...) Show SMILES Show InChI	GoogleScholar	UniChem		3.40E+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