BDBM50108792 7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol::CHEMBL440179

SMILES: CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O

InChI Key: InChIKey=RASYJBAUQKYAME-PJRPWTOZSA-N

Data: 3 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 3 hits for monomerid = 50108792   

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))	BDBM50108792 (7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexac...) Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4| Show InChI InChI=1S/C34H34N2O3/c1-2-16-35-17-15-33-29-24-13-14-27(37)31(29)39-32(33)30-25(19-34(33,38)28(35)18-24)26(23-11-7-4-8-12-23)21-36(30)20-22-9-5-3-6-10-22/h3-14,21,28,32,37-38H,2,15-20H2,1H3/t28?,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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 recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50108792 (7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexac...) Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4| Show InChI InChI=1S/C34H34N2O3/c1-2-16-35-17-15-33-29-24-13-14-27(37)31(29)39-32(33)30-25(19-34(33,38)28(35)18-24)26(23-11-7-4-8-12-23)21-36(30)20-22-9-5-3-6-10-22/h3-14,21,28,32,37-38H,2,15-20H2,1H3/t28?,32-,33-,34+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108792 (7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexac...) Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4| Show InChI InChI=1S/C34H34N2O3/c1-2-16-35-17-15-33-29-24-13-14-27(37)31(29)39-32(33)30-25(19-34(33,38)28(35)18-24)26(23-11-7-4-8-12-23)21-36(30)20-22-9-5-3-6-10-22/h3-14,21,28,32,37-38H,2,15-20H2,1H3/t28?,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	191	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 recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair