BDBM50269638 CHEMBL4066846

SMILES: [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C

InChI Key: InChIKey=FYDXCISEJYSSCH-QWIYEXKTSA-N

Data: 3 KI  1 IC50  2 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 6 hits for monomerid = 50269638   

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))	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes by liquid scintillation counting analysis				Bioorg Med Chem 25: 4745-4752 (2017) Article DOI: 10.1016/j.bmc.2017.07.021 BindingDB Entry DOI: 10.7270/Q2S46VG1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-U69,593 from KOR in guinea pig brain membranes by liquid scintillation counting analysis				Bioorg Med Chem 25: 4745-4752 (2017) Article DOI: 10.1016/j.bmc.2017.07.021 BindingDB Entry DOI: 10.7270/Q2S46VG1
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from DOR in rat brain membranes by liquid scintillation counting analysis				Bioorg Med Chem 25: 4745-4752 (2017) Article DOI: 10.1016/j.bmc.2017.07.021 BindingDB Entry DOI: 10.7270/Q2S46VG1
					More data for this Ligand-Target Pair
mu/kappa opioid receptor (Cavia porcellus (domestic guinea pig)-GUINEA PIG)	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Sciences, Medicinal Chemistry Section, University of Catania, Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Agonist activity at MOR/KOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 5 mins				Bioorg Med Chem 25: 4745-4752 (2017) Article DOI: 10.1016/j.bmc.2017.07.021 BindingDB Entry DOI: 10.7270/Q2S46VG1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043
					More data for this Ligand-Target Pair