BDBM50233415 CHEMBL4064725

SMILES: [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=NVXBSVRJYKSJFK-LPNRQUNZSA-N

Data: 3 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 3 hits for monomerid = 50233415   

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 (Danio rerio)	BDBM50233415 (CHEMBL4064725) Show SMILES [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,36-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233415 (CHEMBL4064725) Show SMILES [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,36-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	536	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Opioid receptor homologue (Danio rerio)	BDBM50233415 (CHEMBL4064725) Show SMILES [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,36-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	609	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair