BDBM50199867 (S)-2-allylamino-N-(5-{[(S)-2-allylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-propyl-amino}-3-oxo-3,4-dihydro-pyrazin-2-yl)-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-propyl-propionamide::CHEMBL396506

SMILES: CCCN(C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1

InChI Key: InChIKey=NWDZARLHJWJMPM-LQJZCPKCSA-N

Data: 2 KI  2 IC50

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 = 50199867   

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))	BDBM50199867 ((S)-2-allylamino-N-(5-{[(S)-2-allylamino-3-(4-hydr...) Show SMILES CCCN(C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1 Show InChI InChI=1S/C38H52N6O5/c1-9-13-39-32(21-30-24(5)17-28(45)18-25(30)6)37(48)43(15-11-3)34-23-41-35(36(47)42-34)44(16-12-4)38(49)33(40-14-10-2)22-31-26(7)19-29(46)20-27(31)8/h9-10,17-20,23,32-33,39-40,45-46H,1-2,11-16,21-22H2,3-8H3,(H,42,47)/t32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain P2 synaptosome				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50199867 ((S)-2-allylamino-N-(5-{[(S)-2-allylamino-3-(4-hydr...) Show SMILES CCCN(C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1 Show InChI InChI=1S/C38H52N6O5/c1-9-13-39-32(21-30-24(5)17-28(45)18-25(30)6)37(48)43(15-11-3)34-23-41-35(36(47)42-34)44(16-12-4)38(49)33(40-14-10-2)22-31-26(7)19-29(46)20-27(31)8/h9-10,17-20,23,32-33,39-40,45-46H,1-2,11-16,21-22H2,3-8H3,(H,42,47)/t32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	77.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain P2 synaptosome				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50199867 ((S)-2-allylamino-N-(5-{[(S)-2-allylamino-3-(4-hydr...) Show SMILES CCCN(C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1 Show InChI InChI=1S/C38H52N6O5/c1-9-13-39-32(21-30-24(5)17-28(45)18-25(30)6)37(48)43(15-11-3)34-23-41-35(36(47)42-34)44(16-12-4)38(49)33(40-14-10-2)22-31-26(7)19-29(46)20-27(31)8/h9-10,17-20,23,32-33,39-40,45-46H,1-2,11-16,21-22H2,3-8H3,(H,42,47)/t32-,33-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig intestine assessed as inhibition of electrically evoked myenteric plexus longitudinal mu...				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50199867 ((S)-2-allylamino-N-(5-{[(S)-2-allylamino-3-(4-hydr...) Show SMILES CCCN(C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1 Show InChI InChI=1S/C38H52N6O5/c1-9-13-39-32(21-30-24(5)17-28(45)18-25(30)6)37(48)43(15-11-3)34-23-41-35(36(47)42-34)44(16-12-4)38(49)33(40-14-10-2)22-31-26(7)19-29(46)20-27(31)8/h9-10,17-20,23,32-33,39-40,45-46H,1-2,11-16,21-22H2,3-8H3,(H,42,47)/t32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked muscle contractions				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair