BDBM50049379 (S)-3-[(S)-2-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-cyclohexanecarbonyl}-amino)-3-phenyl-propionylamino]-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL165263

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=UEVFYKFKEUHPLB-WDEDYMKJSA-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 = 50049379   

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))	BDBM50049379 ((S)-3-[(S)-2-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C41H58N8O10/c1-23(2)33(38(57)44-22-31(43)51)48-39(58)34(24(3)4)47-37(56)30(21-32(52)53)45-36(55)29(20-25-11-7-5-8-12-25)46-40(59)41(17-9-6-10-18-41)49-35(54)28(42)19-26-13-15-27(50)16-14-26/h5,7-8,11-16,23-24,28-30,33-34,50H,6,9-10,17-22,42H2,1-4H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t28-,29-,30-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1				J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50049379 ((S)-3-[(S)-2-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C41H58N8O10/c1-23(2)33(38(57)44-22-31(43)51)48-39(58)34(24(3)4)47-37(56)30(21-32(52)53)45-36(55)29(20-25-11-7-5-8-12-25)46-40(59)41(17-9-6-10-18-41)49-35(54)28(42)19-26-13-15-27(50)16-14-26/h5,7-8,11-16,23-24,28-30,33-34,50H,6,9-10,17-22,42H2,1-4H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t28-,29-,30-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DAGO (1.28 nM) from Opioid receptor mu 1				J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ
					More data for this Ligand-Target Pair