BDBM50008840 CHEMBL3236677

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=OZUVMQFMTPBKPC-JKWLULBVSA-N

Data: 3 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 5 hits for monomerid = 50008840   

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))	BDBM50008840 (CHEMBL3236677) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-19-14-22(44)15-20(2)24(19)17-25(36)30(45)41-27(11-7-13-39-34(37)38)31(46)43-29(16-21-18-40-26-9-4-3-8-23(21)26)32(47)42-28(33(48)49)10-5-6-12-35/h3-4,8-9,14-15,18,25,27-29,40,44H,5-7,10-13,16-17,35-36H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,37,38,39)/t25-,27+,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0991	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50008840 (CHEMBL3236677) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-19-14-22(44)15-20(2)24(19)17-25(36)30(45)41-27(11-7-13-39-34(37)38)31(46)43-29(16-21-18-40-26-9-4-3-8-23(21)26)32(47)42-28(33(48)49)10-5-6-12-35/h3-4,8-9,14-15,18,25,27-29,40,44H,5-7,10-13,16-17,35-36H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,37,38,39)/t25-,27+,28-,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50008840 (CHEMBL3236677) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-19-14-22(44)15-20(2)24(19)17-25(36)30(45)41-27(11-7-13-39-34(37)38)31(46)43-29(16-21-18-40-26-9-4-3-8-23(21)26)32(47)42-28(33(48)49)10-5-6-12-35/h3-4,8-9,14-15,18,25,27-29,40,44H,5-7,10-13,16-17,35-36H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,37,38,39)/t25-,27+,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes after 2 hrs				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50008840 (CHEMBL3236677) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-19-14-22(44)15-20(2)24(19)17-25(36)30(45)41-27(11-7-13-39-34(37)38)31(46)43-29(16-21-18-40-26-9-4-3-8-23(21)26)32(47)42-28(33(48)49)10-5-6-12-35/h3-4,8-9,14-15,18,25,27-29,40,44H,5-7,10-13,16-17,35-36H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,37,38,39)/t25-,27+,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50008840 (CHEMBL3236677) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-19-14-22(44)15-20(2)24(19)17-25(36)30(45)41-27(11-7-13-39-34(37)38)31(46)43-29(16-21-18-40-26-9-4-3-8-23(21)26)32(47)42-28(33(48)49)10-5-6-12-35/h3-4,8-9,14-15,18,25,27-29,40,44H,5-7,10-13,16-17,35-36H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,37,38,39)/t25-,27+,28-,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair