null

SMILES: CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=NXVBILHYMWWGLP-CZTZKLFOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50210549   

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))	BDBM50210549 (3-methylurea-N-cyclobutylmethylmorphinan | CHEMBL4...) Show SMILES CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11| Show InChI InChI=1S/C22H31N3O/c1-23-21(26)24-17-8-7-16-12-20-18-4-2-3-9-22(18,19(16)13-17)10-11-25(20)14-15-5-6-15/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H2,23,24,26)/t18-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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]U69,593 from human kappa opioid receptor expressed in CHO membrane				Bioorg Med Chem 15: 4106-12 (2007) Article DOI: 10.1016/j.bmc.2007.03.076 BindingDB Entry DOI: 10.7270/Q2D50MN1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50210549 (3-methylurea-N-cyclobutylmethylmorphinan | CHEMBL4...) Show SMILES CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11| Show InChI InChI=1S/C22H31N3O/c1-23-21(26)24-17-8-7-16-12-20-18-4-2-3-9-22(18,19(16)13-17)10-11-25(20)14-15-5-6-15/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H2,23,24,26)/t18-,20+,22+/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	12	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 membrane				Bioorg Med Chem 15: 4106-12 (2007) Article DOI: 10.1016/j.bmc.2007.03.076 BindingDB Entry DOI: 10.7270/Q2D50MN1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50210549 (3-methylurea-N-cyclobutylmethylmorphinan | CHEMBL4...) Show SMILES CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11| Show InChI InChI=1S/C22H31N3O/c1-23-21(26)24-17-8-7-16-12-20-18-4-2-3-9-22(18,19(16)13-17)10-11-25(20)14-15-5-6-15/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H2,23,24,26)/t18-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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 membrane				Bioorg Med Chem 15: 4106-12 (2007) Article DOI: 10.1016/j.bmc.2007.03.076 BindingDB Entry DOI: 10.7270/Q2D50MN1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50210549 (3-methylurea-N-cyclobutylmethylmorphinan | CHEMBL4...) Show SMILES CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11| Show InChI InChI=1S/C22H31N3O/c1-23-21(26)24-17-8-7-16-12-20-18-4-2-3-9-22(18,19(16)13-17)10-11-25(20)14-15-5-6-15/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H2,23,24,26)/t18-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding after 60 mins				Bioorg Med Chem 15: 4106-12 (2007) Article DOI: 10.1016/j.bmc.2007.03.076 BindingDB Entry DOI: 10.7270/Q2D50MN1
					More data for this Ligand-Target Pair