BDBM50094774 CHEMBL3589798

SMILES: Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1

InChI Key: InChIKey=SJARNHOILQJSKN-DEOSSOPVSA-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 = 50094774   

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))	BDBM50094774 (CHEMBL3589798) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34| Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	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))	BDBM50094774 (CHEMBL3589798) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34| Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	393	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))	BDBM50094774 (CHEMBL3589798) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34| Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	767	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