BDBM50040483 4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,13R,15R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O

InChI Key: InChIKey=ZLMLSUIQTYFLKF-UPNMOVISSA-N

Data: 4 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 4 hits for monomerid = 50040483   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50040483 (4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12| Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50040483 (4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12| Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50040483 (4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12| Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50040483 (4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12| Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair