BDBM50312856 (2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(ethane-1,2-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(3-oxo-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole-4,2-diyl))bis(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide)::CHEMBL1076738

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@@H](NC(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C3=O)C1=O)[nH]c1ccccc21

InChI Key: InChIKey=AKDUVEMSLCHVHO-XCIZVNRNSA-N

Data: 2 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 2 hits for monomerid = 50312856   

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))	BDBM50312856 ((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(ethane-1,2-diy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@@H](NC(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C3=O)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C52H60N10O8/c1-27-15-31(63)16-28(2)35(27)19-39(53)49(67)59-43-21-37-33-9-5-7-11-41(33)57-45(37)23-61(51(43)69)25-47(65)55-13-14-56-48(66)26-62-24-46-38(34-10-6-8-12-42(34)58-46)22-44(52(62)70)60-50(68)40(54)20-36-29(3)17-32(64)18-30(36)4/h5-12,15-18,39-40,43-44,57-58,63-64H,13-14,19-26,53-54H2,1-4H3,(H,55,65)(H,56,66)(H,59,67)(H,60,68)/t39-,40-,43+,44+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50312856 ((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(ethane-1,2-diy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@@H](NC(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C3=O)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C52H60N10O8/c1-27-15-31(63)16-28(2)35(27)19-39(53)49(67)59-43-21-37-33-9-5-7-11-41(33)57-45(37)23-61(51(43)69)25-47(65)55-13-14-56-48(66)26-62-24-46-38(34-10-6-8-12-42(34)58-46)22-44(52(62)70)60-50(68)40(54)20-36-29(3)17-32(64)18-30(36)4/h5-12,15-18,39-40,43-44,57-58,63-64H,13-14,19-26,53-54H2,1-4H3,(H,55,65)(H,56,66)(H,59,67)(H,60,68)/t39-,40-,43+,44+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 20: 1610-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.055 BindingDB Entry DOI: 10.7270/Q2H995BB
					More data for this Ligand-Target Pair