BDBM50094775 CHEMBL3589799

SMILES: Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1

InChI Key: InChIKey=YNSCYOBZGPPEEP-QFIPXVFZSA-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 = 50094775   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50094775 (CHEMBL3589799) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35| Show InChI InChI=1S/C24H18Cl2N4O2/c1-13-9-15-7-8-30-21(15)16(10-13)20(14-5-3-2-4-6-14)28-22(24(30)32)29-23(31)19-17(25)11-27-12-18(19)26/h2-6,9-12,22H,7-8H2,1H3,(H,29,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50094775 (CHEMBL3589799) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35| Show InChI InChI=1S/C24H18Cl2N4O2/c1-13-9-15-7-8-30-21(15)16(10-13)20(14-5-3-2-4-6-14)28-22(24(30)32)29-23(31)19-17(25)11-27-12-18(19)26/h2-6,9-12,22H,7-8H2,1H3,(H,29,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	552	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50094775 (CHEMBL3589799) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35| Show InChI InChI=1S/C24H18Cl2N4O2/c1-13-9-15-7-8-30-21(15)16(10-13)20(14-5-3-2-4-6-14)28-22(24(30)32)29-23(31)19-17(25)11-27-12-18(19)26/h2-6,9-12,22H,7-8H2,1H3,(H,29,31)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.76E+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