BDBM50076002 2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl)-2-propanol::CHEMBL353979::Diprenorphine

SMILES: COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45

InChI Key: InChIKey=OIJXLIIMXHRJJH-UHFFFAOYSA-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 = 50076002   

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 (GUINEA PIG)	BDBM50076002 (2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...) Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	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 mu opioid receptor in guinea pig brain membranes 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))	BDBM50076002 (2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...) Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	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 delta opioid receptor in guinea pig brain membranes 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 (Cavia porcellus (domestic guinea pig))	BDBM50076002 (2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...) Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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 kappa opioid receptor in guinea pig brain membranes 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
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM50076002 (2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...) Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Pharmacol Rev 53: 381-415 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7FWB
					More data for this Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM50076002 (2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...) Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Pharmacol Rev 53: 381-415 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7FWB
					More data for this Ligand-Target Pair