BDBM50094761 CHEMBL3589702

SMILES: Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1

InChI Key: InChIKey=CUUQIXQBMUAMLK-QKDODKLFSA-N

Data: 3 KI

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 3 hits for monomerid = 50094761   

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))	BDBM50094761 (CHEMBL3589702) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:30,33| Show InChI InChI=1S/C30H32N4O/c35-28-13-11-24(12-14-28)15-25-20-33-27(17-23-9-5-2-6-10-23)21-34-26(16-22-7-3-1-4-8-22)19-31-29(34)18-30(33)32-25/h1-14,18,25-27,32,35H,15-17,19-21H2/t25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	566	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay				J Med Chem 58: 4905-17 (2015) Article DOI: 10.1021/jm501637c BindingDB Entry DOI: 10.7270/Q2TB18NQ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50094761 (CHEMBL3589702) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:30,33| Show InChI InChI=1S/C30H32N4O/c35-28-13-11-24(12-14-28)15-25-20-33-27(17-23-9-5-2-6-10-23)21-34-26(16-22-7-3-1-4-8-22)19-31-29(34)18-30(33)32-25/h1-14,18,25-27,32,35H,15-17,19-21H2/t25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay				J Med Chem 58: 4905-17 (2015) Article DOI: 10.1021/jm501637c BindingDB Entry DOI: 10.7270/Q2TB18NQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50094761 (CHEMBL3589702) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:30,33| Show InChI InChI=1S/C30H32N4O/c35-28-13-11-24(12-14-28)15-25-20-33-27(17-23-9-5-2-6-10-23)21-34-26(16-22-7-3-1-4-8-22)19-31-29(34)18-30(33)32-25/h1-14,18,25-27,32,35H,15-17,19-21H2/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay				J Med Chem 58: 4905-17 (2015) Article DOI: 10.1021/jm501637c BindingDB Entry DOI: 10.7270/Q2TB18NQ
					More data for this Ligand-Target Pair