BDBM50303598 17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl Carbamate::CHEMBL570654

SMILES: Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1

InChI Key: InChIKey=WEVXIPWDOXZIKE-DKRHUIDYSA-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 = 50303598   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303598 (17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl C...) Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15| Show InChI InChI=1S/C28H33IN2O2/c29-21-8-10-22(11-9-21)30-27(32)33-23-12-7-20-16-26-24-6-1-2-13-28(24,25(20)17-23)14-15-31(26)18-19-4-3-5-19/h7-12,17,19,24,26H,1-6,13-16,18H2,(H,30,32)/t24-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303598 (17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl C...) Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15| Show InChI InChI=1S/C28H33IN2O2/c29-21-8-10-22(11-9-21)30-27(32)33-23-12-7-20-16-26-24-6-1-2-13-28(24,25(20)17-23)14-15-31(26)18-19-4-3-5-19/h7-12,17,19,24,26H,1-6,13-16,18H2,(H,30,32)/t24-,26+,28+/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50303598 (17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl C...) Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15| Show InChI InChI=1S/C28H33IN2O2/c29-21-8-10-22(11-9-21)30-27(32)33-23-12-7-20-16-26-24-6-1-2-13-28(24,25(20)17-23)14-15-31(26)18-19-4-3-5-19/h7-12,17,19,24,26H,1-6,13-16,18H2,(H,30,32)/t24-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair