BDBM50233414 CHEMBL4095111

SMILES: CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=UIRWGVLTPPSGEN-NDBXHCKUSA-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 = 50233414   

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
Oprd1b protein (Danio rerio)	BDBM50233414 (CHEMBL4095111) Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23+,24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	256	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
Mu-type opioid receptor (Danio rerio)	BDBM50233414 (CHEMBL4095111) Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23+,24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	269	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
Opioid receptor homologue (Danio rerio)	BDBM50233414 (CHEMBL4095111) Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23+,24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	566	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