BDBM50154309 CHEMBL189285::[(5R,9R,12S,14aS)-9-Benzyl-5-(4-hydroxy-benzyl)-12-(1H-indol-3-ylmethyl)-4,8,11,14-tetraoxo-dodecahydro-3a,6,7,10,13-pentaaza-cyclopentacyclotridecen-7-yl]-acetic acid

SMILES: OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=DUWKOSCGSPLVIE-KQFVITFDSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50154309   

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))	BDBM50154309 (CHEMBL189285 | [(5R,9R,12S,14aS)-9-Benzyl-5-(4-hyd...) Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes				J Med Chem 47: 5198-203 (2004) Article DOI: 10.1021/jm0498811 BindingDB Entry DOI: 10.7270/Q2862H78
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50154309 (CHEMBL189285 | [(5R,9R,12S,14aS)-9-Benzyl-5-(4-hyd...) Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes				J Med Chem 47: 5198-203 (2004) Article DOI: 10.1021/jm0498811 BindingDB Entry DOI: 10.7270/Q2862H78
					More data for this Ligand-Target Pair