BDBM50041956 2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylcarboxamido}-3-phenyl-(2S)-propanoic acid::2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylmethylamino}-3-phenyl-(2S)-propanoic acid::CHEMBL2370431

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=AZBAOXFFFLMUBH-SDHOMARFSA-N

Data: 6 KI

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 6 hits for monomerid = 50041956   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50041956 (2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations				J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50041956 (2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations				J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50041956 (2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Affinity towards human Opioid receptor delta 1 on CHO cell membranes using [3H]DPDPE displacement.				J Med Chem 43: 5050-4 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z8P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041956 (2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity against mu opioid receptor fby displacing [3H]- DAMGO radioligand from rat brain membrane preparations				J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50041956 (2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Affinity towards human Opioid receptor mu 1 on CHO cell membranes using [3H]DAMGO displacement.				J Med Chem 43: 5050-4 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z8P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041956 (2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity against mu opioid receptor fby displacing [3H]- DAMGO radioligand from rat brain membrane preparations				J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW
					More data for this Ligand-Target Pair