BDBM50105772 6-(4-chlorophenyl)-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)-hexaene-2,13-diol::CHEMBL317536::Naltrindole analogue

SMILES: CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O

InChI Key: InChIKey=MUWNONLJXQJWBU-SXNYVGIYSA-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 = 50105772   

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 (Homo sapiens (Human))	BDBM50105772 (6-(4-chlorophenyl)-19-(2-methylallyl)-(2S,10R)-11-...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5| Show InChI InChI=1S/C29H27ClN2O3/c1-16(2)15-32-10-9-28-24-18-5-8-22(33)26(24)35-27(28)25-19(13-29(28,34)23(32)12-18)11-20(14-31-25)17-3-6-21(30)7-4-17/h3-8,11,14,23,27,33-34H,1,9-10,12-13,15H2,2H3/t23?,27-,28?,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50105772 (6-(4-chlorophenyl)-19-(2-methylallyl)-(2S,10R)-11-...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5| Show InChI InChI=1S/C29H27ClN2O3/c1-16(2)15-32-10-9-28-24-18-5-8-22(33)26(24)35-27(28)25-19(13-29(28,34)23(32)12-18)11-20(14-31-25)17-3-6-21(30)7-4-17/h3-8,11,14,23,27,33-34H,1,9-10,12-13,15H2,2H3/t23?,27-,28?,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105772 (6-(4-chlorophenyl)-19-(2-methylallyl)-(2S,10R)-11-...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5| Show InChI InChI=1S/C29H27ClN2O3/c1-16(2)15-32-10-9-28-24-18-5-8-22(33)26(24)35-27(28)25-19(13-29(28,34)23(32)12-18)11-20(14-31-25)17-3-6-21(30)7-4-17/h3-8,11,14,23,27,33-34H,1,9-10,12-13,15H2,2H3/t23?,27-,28?,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	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))	BDBM50105772 (6-(4-chlorophenyl)-19-(2-methylallyl)-(2S,10R)-11-...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5| Show InChI InChI=1S/C29H27ClN2O3/c1-16(2)15-32-10-9-28-24-18-5-8-22(33)26(24)35-27(28)25-19(13-29(28,34)23(32)12-18)11-20(14-31-25)17-3-6-21(30)7-4-17/h3-8,11,14,23,27,33-34H,1,9-10,12-13,15H2,2H3/t23?,27-,28?,29+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	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))	BDBM50105772 (6-(4-chlorophenyl)-19-(2-methylallyl)-(2S,10R)-11-...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5| Show InChI InChI=1S/C29H27ClN2O3/c1-16(2)15-32-10-9-28-24-18-5-8-22(33)26(24)35-27(28)25-19(13-29(28,34)23(32)12-18)11-20(14-31-25)17-3-6-21(30)7-4-17/h3-8,11,14,23,27,33-34H,1,9-10,12-13,15H2,2H3/t23?,27-,28?,29+/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