BDBM50031226 (S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoyl}-butyl-amino)-acetylamino]-succinamic acid::CHEMBL340919

SMILES: CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=UTLROTXPFCUVES-PQVJJDQFSA-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 = 50031226   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50031226 ((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...) Show SMILES CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C45H64N10O10S/c1-5-6-17-55(25-38(57)50-34(40(47)60)23-39(58)59)45(65)37(19-27(2)3)54-44(64)36(22-30-24-48-26-49-30)53-43(63)35(21-28-10-8-7-9-11-28)52-42(62)33(16-18-66-4)51-41(61)32(46)20-29-12-14-31(56)15-13-29/h7-15,24,26-27,32-37,56H,5-6,16-23,25,46H2,1-4H3,(H2,47,60)(H,48,49)(H,50,57)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,58,59)/t32-,33+,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]-DADLE binding to rat brain delta receptor				J Med Chem 38: 3995-9 (1995) BindingDB Entry DOI: 10.7270/Q2P849WG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50031226 ((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...) Show SMILES CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C45H64N10O10S/c1-5-6-17-55(25-38(57)50-34(40(47)60)23-39(58)59)45(65)37(19-27(2)3)54-44(64)36(22-30-24-48-26-49-30)53-43(63)35(21-28-10-8-7-9-11-28)52-42(62)33(16-18-66-4)51-41(61)32(46)20-29-12-14-31(56)15-13-29/h7-15,24,26-27,32-37,56H,5-6,16-23,25,46H2,1-4H3,(H2,47,60)(H,48,49)(H,50,57)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,58,59)/t32-,33+,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]-DAGO binding to rat brain Opioid receptor mu 1				J Med Chem 38: 3995-9 (1995) BindingDB Entry DOI: 10.7270/Q2P849WG
					More data for this Ligand-Target Pair