BDBM50098677 17-propyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy-6,7:2',3'-indolomorphinan

SMILES: CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O

InChI Key: InChIKey=PAESXPKWFLPKAY-DYZJZLFBSA-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 = 50098677   

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
Delta-type opioid receptor (MOUSE)	BDBM50098677 (17-propyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...) Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4| Show InChI InChI=1S/C25H26N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,2,9-13H2,1H3/t19?,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]DADLE at delta-opioid receptor				J Med Chem 44: 1471-4 (2001) BindingDB Entry DOI: 10.7270/Q2PK0GVP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50098677 (17-propyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...) Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4| Show InChI InChI=1S/C25H26N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,2,9-13H2,1H3/t19?,23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 at opioid receptor kappa 1				J Med Chem 44: 1471-4 (2001) BindingDB Entry DOI: 10.7270/Q2PK0GVP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50098677 (17-propyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...) Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4| Show InChI InChI=1S/C25H26N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,2,9-13H2,1H3/t19?,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO at mu-opioid receptor				J Med Chem 44: 1471-4 (2001) BindingDB Entry DOI: 10.7270/Q2PK0GVP
					More data for this Ligand-Target Pair