BDBM50399659 CHEMBL2178341

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncn1

InChI Key: InChIKey=JMTLZAXUTRWYOQ-QODBOBSJSA-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 = 50399659   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50399659 (CHEMBL2178341) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncn1 |r| Show InChI InChI=1S/C25H28N4O4/c30-18-4-3-15-11-19-25(32)7-5-16(28-23(31)17-6-9-26-13-27-17)22-24(25,20(15)21(18)33-22)8-10-29(19)12-14-1-2-14/h3-4,6,9,13-14,16,19,22,30,32H,1-2,5,7-8,10-12H2,(H,28,31)/t16-,19-,22+,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor expressed in CHO cells after 1 hr				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50399659 (CHEMBL2178341) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncn1 |r| Show InChI InChI=1S/C25H28N4O4/c30-18-4-3-15-11-19-25(32)7-5-16(28-23(31)17-6-9-26-13-27-17)22-24(25,20(15)21(18)33-22)8-10-29(19)12-14-1-2-14/h3-4,6,9,13-14,16,19,22,30,32H,1-2,5,7-8,10-12H2,(H,28,31)/t16-,19-,22+,24+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Naloxone from mu opioid receptor expressed in CHO cells after 1 hr				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50399659 (CHEMBL2178341) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncn1 |r| Show InChI InChI=1S/C25H28N4O4/c30-18-4-3-15-11-19-25(32)7-5-16(28-23(31)17-6-9-26-13-27-17)22-24(25,20(15)21(18)33-22)8-10-29(19)12-14-1-2-14/h3-4,6,9,13-14,16,19,22,30,32H,1-2,5,7-8,10-12H2,(H,28,31)/t16-,19-,22+,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells after 1 hr				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50399659 (CHEMBL2178341) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncn1 |r| Show InChI InChI=1S/C25H28N4O4/c30-18-4-3-15-11-19-25(32)7-5-16(28-23(31)17-6-9-26-13-27-17)22-24(25,20(15)21(18)33-22)8-10-29(19)12-14-1-2-14/h3-4,6,9,13-14,16,19,22,30,32H,1-2,5,7-8,10-12H2,(H,28,31)/t16-,19-,22+,24+,25-/m1/s1	PDB NCI pathway 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	7.5	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP-gammaS binding				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair