BDBM50018634 12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-benzyl-3,7,13-trioxo-1,4,8triaza-cyclotridecane-5-carboxylic acid amide::CHEMBL64949

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key: InChIKey=HNDAPGXWFDLKOJ-CMOCDZPBSA-N

Data: 2 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 4 hits for monomerid = 50018634   

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))	BDBM50018634 (12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.83E+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 Binding affinity towards mu Opioid receptor in rat brain membrane using [3H]-DAGO as radioligand				J Med Chem 30: 2094-9 (1987) BindingDB Entry DOI: 10.7270/Q2416W24
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50018634 (12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.00E+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 Inhibition of [3H]-DSLET binding to rat brain membrane Opioid receptor delta 1				J Med Chem 30: 2094-9 (1987) BindingDB Entry DOI: 10.7270/Q2416W24
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50018634 (12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20-,21-,22-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Inhibitory activity towards electrically induced contractions in guinea pig ileum expressing Opioid receptor mu 1				J Med Chem 30: 2094-9 (1987) BindingDB Entry DOI: 10.7270/Q2416W24
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50018634 (12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Inhibitory activity towards electrically induced contractions in mouse vas deferens expressing delta opioid receptor				J Med Chem 30: 2094-9 (1987) BindingDB Entry DOI: 10.7270/Q2416W24
					More data for this Ligand-Target Pair