BDBM50545386 CHEMBL4644694

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1

InChI Key: InChIKey=VQFBHAKCFSCIKO-ZJMAKVHZSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50545386   

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 (Rattus norvegicus (rat))	BDBM50545386 (CHEMBL4644694) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat))	BDBM50545386 (CHEMBL4644694) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50545386 (CHEMBL4644694) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545386 (CHEMBL4644694) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	128	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor (unknown origin) expressed in human HEK293 cells assessed as increase in cAMP accumulation using [3H]-cAMP as ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair