BDBM50021325 4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,14-diol(DHM)::CHEMBL1281::DIHYDROMORPHINE

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O

InChI Key: InChIKey=IJVCSMSMFSCRME-OONJBDFYSA-N

Data: 18 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 18 hits for monomerid = 50021325   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Peptides 19: 1091-8 (1998) Article DOI: 10.1016/s0196-9781(98)00023-0 BindingDB Entry DOI: 10.7270/Q2B27STB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Eur J Pharmacol 383: 209-14 (1999) Article DOI: 10.1016/s0014-2999(99)00610-x BindingDB Entry DOI: 10.7270/Q2TT4PJ9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Peptides 19: 1091-8 (1998) Article DOI: 10.1016/s0196-9781(98)00023-0 BindingDB Entry DOI: 10.7270/Q2B27STB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP Ki Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP Ki Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Eur J Pharmacol 383: 209-14 (1999) Article DOI: 10.1016/s0014-2999(99)00610-x BindingDB Entry DOI: 10.7270/Q2TT4PJ9
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
OPRD1 (Bos taurus)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	Reactome pathway B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
OPRD1 (Bos taurus)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	Reactome pathway B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	38.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
OPRD1 (GUINEA PIG)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
OPRD1 (GUINEA PIG)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	46.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP Ki Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP Ki Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	83.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP Ki Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP Ki Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 81: 4983-7 (1984) Article DOI: 10.1073/pnas.81.15.4983 BindingDB Entry DOI: 10.7270/Q2JM284N
					More data for this Ligand-Target Pair