BDBM50076009 16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-methoxy-3-methyl-(1S,14R,15R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-11-ol::CHEMBL169552

SMILES: CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45

InChI Key: InChIKey=APFIBTMKZJWVHH-LKUYZAFPSA-N

Data: 3 KI  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 6 hits for monomerid = 50076009   

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))	BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16| Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards human mu opioid receptor in CHO cells using [3H]- DAMGO as radioligand				Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16| Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards human delta opioid receptor in CHO cells using [3H]- CI-DPDPE as radioligand				Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16| Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards human kappa opioid receptor in CHO cells using [3H]- U-69,593 as radioligand				Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16| Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Activity was evaluated in human kappa opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay				Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16| Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Activity was evaluated in human delta opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay				Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16| Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Activity was evaluated in human delta opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay				Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK
					More data for this Ligand-Target Pair