BDBM50212299 (1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapentacyclo[8.7.3.0^{1,9}.0^{3,7}.0^{12,17}]icosa-3(7),4,12(17),13,15-pentaen-15-ol::CHEMBL226167::US10766864, Example 90

SMILES: CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31

InChI Key: InChIKey=LVYYHBPAWFABPE-JCKWVBRZSA-N

Data: 3 KI  1 IC50  3 EC50

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 7 hits for monomerid = 50212299   

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 (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTP-gamma-S binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Affinities of various compounds were measured in vitro using competitive radioligand binding assays. Serial dilutions of test compounds were incubate...				US Patent US10766864 (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair