BDBM50140917 6-(4-chlorophenyl)-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)-hexaene-2,13-diol

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O

InChI Key: InChIKey=YMQBQNZSHDBDTL-OOGIKFLQSA-N

Data: 6 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 6 hits for monomerid = 50140917   

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))	BDBM50140917 (6-(4-chlorophenyl)-19-methyl-(2S,10R)-11-oxa-8,19-...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2| Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50140917 (6-(4-chlorophenyl)-19-methyl-(2S,10R)-11-oxa-8,19-...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2| Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Apparent antagonist activity determined by measuring the ability to inhibit stimulation of [35S]GTP-gamma-S, binding to opioid receptor delta 1 in gu...				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))	BDBM50140917 (6-(4-chlorophenyl)-19-methyl-(2S,10R)-11-oxa-8,19-...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2| Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	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))	BDBM50140917 (6-(4-chlorophenyl)-19-methyl-(2S,10R)-11-oxa-8,19-...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2| Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	468	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50140917 (6-(4-chlorophenyl)-19-methyl-(2S,10R)-11-oxa-8,19-...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2| Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	767	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Apparent binding affinity of compound was determined by antagonism towards Opioid receptor kappa 1 in [35S]GTP-gamma-S, binding assay in guinea pig c...				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 (GUINEA PIG)	BDBM50140917 (6-(4-chlorophenyl)-19-methyl-(2S,10R)-11-oxa-8,19-...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2| Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25-,26+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Apparent binding affinity of compound was determined by antagonism towards Opioid receptor mu 1 in [35S]GTP-gamma-S, binding assay in guinea pig caud...				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