BDBM50009153 3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-hexanoylamino)-succinamic acid::CHEMBL27253

SMILES: CCCC[C@H](NC(=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)C(=O)N[C@@H](CC(O)=O)C(N)=O

InChI Key: InChIKey=UKJKIXVZFXQKKD-VCMDLEIESA-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 = 50009153   

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))	BDBM50009153 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CCCC[C@H](NC(=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)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C45H64N10O10S/c1-5-6-12-32(41(61)52-34(39(47)59)23-38(57)58)51-43(63)35(19-26(2)3)53-45(65)37(22-29-24-48-25-49-29)55-44(64)36(21-27-10-8-7-9-11-27)54-42(62)33(17-18-66-4)50-40(60)31(46)20-28-13-15-30(56)16-14-28/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,52,61)(H,53,65)(H,54,62)(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	0.220	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 Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.				J Med Chem 34: 1350-5 (1991) BindingDB Entry DOI: 10.7270/Q2ZW1MHT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009153 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CCCC[C@H](NC(=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)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C45H64N10O10S/c1-5-6-12-32(41(61)52-34(39(47)59)23-38(57)58)51-43(63)35(19-26(2)3)53-45(65)37(22-29-24-48-25-49-29)55-44(64)36(21-27-10-8-7-9-11-27)54-42(62)33(17-18-66-4)50-40(60)31(46)20-28-13-15-30(56)16-14-28/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,52,61)(H,53,65)(H,54,62)(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	206	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 Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement.				J Med Chem 34: 1350-5 (1991) BindingDB Entry DOI: 10.7270/Q2ZW1MHT
					More data for this Ligand-Target Pair