BDBM50139012 (S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((1S,2R)-1-carbamoyl-2-phenyl-propylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL163334

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

InChI Key: InChIKey=XEDWKSFZTLIHLE-GYZIEVATSA-N

Data: 6 KI  2 IC50

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 8 hits for monomerid = 50139012   

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))	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.4	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 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
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.1	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]-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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69.5	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))	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+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]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
Mu-type opioid receptor (GUINEA PIG)	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89.9	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 Inhibition of Opioid receptor mu 1 of guinea pig ileum				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 (MOUSE)	BDBM50139012 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)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+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	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 Inhibition of Mu opioid receptor of mouse vas deferens				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