BDBM50140914 6-(4-chlorophenyl)-13-methoxy-19-methyl-(2S,10R)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaen-2-ol

SMILES: COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1

InChI Key: InChIKey=GHRXFFIPNFMWLA-SSNGLDLMSA-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 = 50140914   

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))	BDBM50140914 (6-(4-chlorophenyl)-13-methoxy-19-methyl-(2S,10R)-1...) Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:4:5:24:8.11.10| Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(32-2)24(22)33-25(26)23-17(13-27(26,31)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity at opioid receptor delta 1 by displacement of [3H]DADLE in rat brain membrane				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50140914 (6-(4-chlorophenyl)-13-methoxy-19-methyl-(2S,10R)-1...) Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:4:5:24:8.11.10| Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(32-2)24(22)33-25(26)23-17(13-27(26,31)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor mu 1 by displacement of [3H]DAMGO in rat brain membrane				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50140914 (6-(4-chlorophenyl)-13-methoxy-19-methyl-(2S,10R)-1...) Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:4:5:24:8.11.10| Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(32-2)24(22)33-25(26)23-17(13-27(26,31)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21?,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor kappa 1 by displacement of [3H]U-69593 in guinea pig brain membranes				J Med Chem 47: 1400-12 (2004) Article DOI: 10.1021/jm030311v BindingDB Entry DOI: 10.7270/Q2639QGW
					More data for this Ligand-Target Pair