BDBM50108788 7-benzyl-18-cyclopropylmethyl-5-phenyl-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::CHEMBL346879

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1

InChI Key: InChIKey=NCKIFINBXITCQE-XFTUNMJMSA-N

Data: 6 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 6 hits for monomerid = 50108788   

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))	BDBM50108788 (7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12| Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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 humanOpioid 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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50108788 (7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12| Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50108788 (7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12| Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/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	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50108788 (7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12| Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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))	BDBM50108788 (7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12| Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108788 (7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12| Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	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