BDBM50139008 (S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(1S,2S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-propyl]-amide::CHEMBL423466

SMILES: C[C@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1

InChI Key: InChIKey=GHCQVWCTWHWODK-VRTFYRIBSA-N

Data: 5 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 5 hits for monomerid = 50139008   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50139008 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(32(42)36-27(30(35)40)20-22-9-4-2-5-10-22)37-31(41)28-13-8-18-38(28)33(43)26(34)19-23-14-16-25(39)17-15-23/h2-7,9-12,14-17,21,26-29,39H,8,13,18-20,34H2,1H3,(H2,35,40)(H,36,42)(H,37,41)/t21-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor				J Med Chem 48: 3239-50 (2005) Article DOI: 10.1021/jm049157i BindingDB Entry DOI: 10.7270/Q28P601Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50139008 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(32(42)36-27(30(35)40)20-22-9-4-2-5-10-22)37-31(41)28-13-8-18-38(28)33(43)26(34)19-23-14-16-25(39)17-15-23/h2-7,9-12,14-17,21,26-29,39H,8,13,18-20,34H2,1H3,(H2,35,40)(H,36,42)(H,37,41)/t21-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Opioid receptor mu 1 of rat brain membranes				J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50139008 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(32(42)36-27(30(35)40)20-22-9-4-2-5-10-22)37-31(41)28-13-8-18-38(28)33(43)26(34)19-23-14-16-25(39)17-15-23/h2-7,9-12,14-17,21,26-29,39H,8,13,18-20,34H2,1H3,(H2,35,40)(H,36,42)(H,37,41)/t21-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-endomorphin-2 from Opioid receptor mu 1 of rat brain membranes				J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50139008 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(32(42)36-27(30(35)40)20-22-9-4-2-5-10-22)37-31(41)28-13-8-18-38(28)33(43)26(34)19-23-14-16-25(39)17-15-23/h2-7,9-12,14-17,21,26-29,39H,8,13,18-20,34H2,1H3,(H2,35,40)(H,36,42)(H,37,41)/t21-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-Dynorphin A from Opioid receptor kappa 1 of rat brain membranes (DAMGO/DADLE quenching of mu/delta receptor binding)				J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50139008 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(32(42)36-27(30(35)40)20-22-9-4-2-5-10-22)37-31(41)28-13-8-18-38(28)33(43)26(34)19-23-14-16-25(39)17-15-23/h2-7,9-12,14-17,21,26-29,39H,8,13,18-20,34H2,1H3,(H2,35,40)(H,36,42)(H,37,41)/t21-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]Ile5,6-deltorphin II from opioid receptor delta 1 of rat brain membranes				J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS
					More data for this Ligand-Target Pair