BDBM50140911 19-allyl-6-(4-chlorophenyl)-(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)-hexaene-2,13-diol

SMILES: Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1

InChI Key: InChIKey=GIOSDNMGKPCMPH-OZCDKMRVSA-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 = 50140911   

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))	BDBM50140911 (19-allyl-6-(4-chlorophenyl)-(2S,10R)-11-oxa-8,19-d...) Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:3:4:25:7.12.11| Show InChI InChI=1S/C28H25ClN2O3/c1-2-10-31-11-9-27-23-17-5-8-21(32)25(23)34-26(27)24-18(14-28(27,33)22(31)13-17)12-19(15-30-24)16-3-6-20(29)7-4-16/h2-8,12,15,22,26,32-33H,1,9-11,13-14H2/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.20	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50140911 (19-allyl-6-(4-chlorophenyl)-(2S,10R)-11-oxa-8,19-d...) Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:3:4:25:7.12.11| Show InChI InChI=1S/C28H25ClN2O3/c1-2-10-31-11-9-27-23-17-5-8-21(32)25(23)34-26(27)24-18(14-28(27,33)22(31)13-17)12-19(15-30-24)16-3-6-20(29)7-4-16/h2-8,12,15,22,26,32-33H,1,9-11,13-14H2/t22?,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50140911 (19-allyl-6-(4-chlorophenyl)-(2S,10R)-11-oxa-8,19-d...) Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:3:4:25:7.12.11| Show InChI InChI=1S/C28H25ClN2O3/c1-2-10-31-11-9-27-23-17-5-8-21(32)25(23)34-26(27)24-18(14-28(27,33)22(31)13-17)12-19(15-30-24)16-3-6-20(29)7-4-16/h2-8,12,15,22,26,32-33H,1,9-11,13-14H2/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	467	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