BDBM50207834 CHEMBL247363::H-Apa-ala-Gly-Phe-leu-OH

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

InChI Key: InChIKey=DFYAWCYXKNEWBW-IMNFJDCFSA-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 = 50207834   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50207834 (CHEMBL247363 | H-Apa-ala-Gly-Phe-leu-OH) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-24(29(40)41)35-28(39)23(15-19-7-5-4-6-8-19)34-25(36)16-32-26(37)18(3)33-27(38)22(31)14-20-9-11-21(30)12-10-20/h4-12,17-18,22-24H,13-16,30-31H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)(H,35,39)(H,40,41)/t18-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned delta opioid receptor				Bioorg Med Chem Lett 17: 2656-60 (2007) Article DOI: 10.1016/j.bmcl.2007.01.092 BindingDB Entry DOI: 10.7270/Q27S7NGH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50207834 (CHEMBL247363 | H-Apa-ala-Gly-Phe-leu-OH) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-24(29(40)41)35-28(39)23(15-19-7-5-4-6-8-19)34-25(36)16-32-26(37)18(3)33-27(38)22(31)14-20-9-11-21(30)12-10-20/h4-12,17-18,22-24H,13-16,30-31H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)(H,35,39)(H,40,41)/t18-,22-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned mu opioid receptor				Bioorg Med Chem Lett 17: 2656-60 (2007) Article DOI: 10.1016/j.bmcl.2007.01.092 BindingDB Entry DOI: 10.7270/Q27S7NGH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50207834 (CHEMBL247363 | H-Apa-ala-Gly-Phe-leu-OH) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-24(29(40)41)35-28(39)23(15-19-7-5-4-6-8-19)34-25(36)16-32-26(37)18(3)33-27(38)22(31)14-20-9-11-21(30)12-10-20/h4-12,17-18,22-24H,13-16,30-31H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)(H,35,39)(H,40,41)/t18-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor				Bioorg Med Chem Lett 17: 2656-60 (2007) Article DOI: 10.1016/j.bmcl.2007.01.092 BindingDB Entry DOI: 10.7270/Q27S7NGH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50207834 (CHEMBL247363 | H-Apa-ala-Gly-Phe-leu-OH) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-24(29(40)41)35-28(39)23(15-19-7-5-4-6-8-19)34-25(36)16-32-26(37)18(3)33-27(38)22(31)14-20-9-11-21(30)12-10-20/h4-12,17-18,22-24H,13-16,30-31H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)(H,35,39)(H,40,41)/t18-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human cloned delta opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding				Bioorg Med Chem Lett 17: 2656-60 (2007) Article DOI: 10.1016/j.bmcl.2007.01.092 BindingDB Entry DOI: 10.7270/Q27S7NGH
					More data for this Ligand-Target Pair