BDBM50312858 (2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(1,4-phenylenebis(methylene))bis(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)::CHEMBL1076740

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccc(CNC(=O)CN4Cc5[nH]c6ccccc6c5C[C@@H](NC(=O)[C@@H](N)Cc5c(C)cc(O)cc5C)C4=O)cc3)C1=O)[nH]c1ccccc21

InChI Key: InChIKey=SKAMLVAKVPPZCM-MYIKROSKSA-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 = 50312858   

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))	BDBM50312858 ((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(1,4-phenyleneb...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccc(CNC(=O)CN4Cc5[nH]c6ccccc6c5C[C@@H](NC(=O)[C@@H](N)Cc5c(C)cc(O)cc5C)C4=O)cc3)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C58H64N10O8/c1-31-17-37(69)18-32(2)41(31)21-45(59)55(73)65-49-23-43-39-9-5-7-11-47(39)63-51(43)27-67(57(49)75)29-53(71)61-25-35-13-15-36(16-14-35)26-62-54(72)30-68-28-52-44(40-10-6-8-12-48(40)64-52)24-50(58(68)76)66-56(74)46(60)22-42-33(3)19-38(70)20-34(42)4/h5-20,45-46,49-50,63-64,69-70H,21-30,59-60H2,1-4H3,(H,61,71)(H,62,72)(H,65,73)(H,66,74)/t45-,46-,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	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))	BDBM50312858 ((2S,2'S)-N,N'-((4R,4'R)-2,2'-(2,2'-(1,4-phenyleneb...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccc(CNC(=O)CN4Cc5[nH]c6ccccc6c5C[C@@H](NC(=O)[C@@H](N)Cc5c(C)cc(O)cc5C)C4=O)cc3)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C58H64N10O8/c1-31-17-37(69)18-32(2)41(31)21-45(59)55(73)65-49-23-43-39-9-5-7-11-47(39)63-51(43)27-67(57(49)75)29-53(71)61-25-35-13-15-36(16-14-35)26-62-54(72)30-68-28-52-44(40-10-6-8-12-48(40)64-52)24-50(58(68)76)66-56(74)46(60)22-42-33(3)19-38(70)20-34(42)4/h5-20,45-46,49-50,63-64,69-70H,21-30,59-60H2,1-4H3,(H,61,71)(H,62,72)(H,65,73)(H,66,74)/t45-,46-,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	361	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