BDBM50105771 6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(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::CHEMBL318957::Naltrindole analogue

SMILES: COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1

InChI Key: InChIKey=SVFVXLQUTFNIGW-FKKYHJNPSA-N

Data: 5 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 5 hits for monomerid = 50105771   

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))	BDBM50105771 (6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13| Show InChI InChI=1S/C30H29ClN2O3/c1-17(2)16-33-11-10-29-25-19-6-9-23(35-3)27(25)36-28(29)26-20(14-30(29,34)24(33)13-19)12-21(15-32-26)18-4-7-22(31)8-5-18/h4-9,12,15,24,28,34H,1,10-11,13-14,16H2,2-3H3/t24?,28-,29?,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105771 (6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13| Show InChI InChI=1S/C30H29ClN2O3/c1-17(2)16-33-11-10-29-25-19-6-9-23(35-3)27(25)36-28(29)26-20(14-30(29,34)24(33)13-19)12-21(15-32-26)18-4-7-22(31)8-5-18/h4-9,12,15,24,28,34H,1,10-11,13-14,16H2,2-3H3/t24?,28-,29?,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from Opioid receptor delta 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105771 (6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13| Show InChI InChI=1S/C30H29ClN2O3/c1-17(2)16-33-11-10-29-25-19-6-9-23(35-3)27(25)36-28(29)26-20(14-30(29,34)24(33)13-19)12-21(15-32-26)18-4-7-22(31)8-5-18/h4-9,12,15,24,28,34H,1,10-11,13-14,16H2,2-3H3/t24?,28-,29?,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from Opioid receptor kappa 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50105771 (6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13| Show InChI InChI=1S/C30H29ClN2O3/c1-17(2)16-33-11-10-29-25-19-6-9-23(35-3)27(25)36-28(29)26-20(14-30(29,34)24(33)13-19)12-21(15-32-26)18-4-7-22(31)8-5-18/h4-9,12,15,24,28,34H,1,10-11,13-14,16H2,2-3H3/t24?,28-,29?,30+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105771 (6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13| Show InChI InChI=1S/C30H29ClN2O3/c1-17(2)16-33-11-10-29-25-19-6-9-23(35-3)27(25)36-28(29)26-20(14-30(29,34)24(33)13-19)12-21(15-32-26)18-4-7-22(31)8-5-18/h4-9,12,15,24,28,34H,1,10-11,13-14,16H2,2-3H3/t24?,28-,29?,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from Opioid receptor mu 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair