BDBM50000516 3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-hexanoylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-4-methylsulfanyl-butyrylamino)-succinamic acid::CHEMBL20999

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

InChI Key: InChIKey=YPPRCUDGBIDEFW-PEAOEFARSA-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 = 50000516   

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))	BDBM50000516 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C45H64N10O10S/c1-5-6-12-32(50-40(60)31(46)20-28-13-15-30(56)16-14-28)41(61)54-36(21-27-10-8-7-9-11-27)44(64)55-37(22-29-24-48-25-49-29)45(65)53-35(19-26(2)3)43(63)51-33(17-18-66-4)42(62)52-34(39(47)59)23-38(57)58/h7-11,13-16,24-26,31-37,56H,5-6,12,17-23,46H2,1-4H3,(H2,47,59)(H,48,49)(H,50,60)(H,51,63)(H,52,62)(H,53,65)(H,54,61)(H,55,64)(H,57,58)/t31-,32-,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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against opioid receptor delta using [3H]-DPDPE as radioligand.				J Med Chem 35: 1222-7 (1992) BindingDB Entry DOI: 10.7270/Q29P30K2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000516 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C45H64N10O10S/c1-5-6-12-32(50-40(60)31(46)20-28-13-15-30(56)16-14-28)41(61)54-36(21-27-10-8-7-9-11-27)44(64)55-37(22-29-24-48-25-49-29)45(65)53-35(19-26(2)3)43(63)51-33(17-18-66-4)42(62)52-34(39(47)59)23-38(57)58/h7-11,13-16,24-26,31-37,56H,5-6,12,17-23,46H2,1-4H3,(H2,47,59)(H,48,49)(H,50,60)(H,51,63)(H,52,62)(H,53,65)(H,54,61)(H,55,64)(H,57,58)/t31-,32-,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	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against opioid receptor mu using [3H]-DAGO as radioligand.				J Med Chem 35: 1222-7 (1992) BindingDB Entry DOI: 10.7270/Q29P30K2
					More data for this Ligand-Target Pair