BDBM50204453 CHEMBL263096::MCL-444

SMILES: O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=VSBFHNWLJXFFTK-UHFFFAOYSA-N

Data: 3 KI  1 IC50  2 EC50

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 = 50204453   

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))	BDBM50204453 (CHEMBL263096 | MCL-444) Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24| Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	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]U-69593 from human kappa opioid receptors expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204453 (CHEMBL263096 | MCL-444) Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24| Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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 receptors expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50204453 (CHEMBL263096 | MCL-444) Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24| Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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 receptors expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204453 (CHEMBL263096 | MCL-444) Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24| Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)	PDB NCI pathway 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	2.20	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTP-gamma-S binding				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204453 (CHEMBL263096 | MCL-444) Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24| Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as DAMGO-stimulated [35S]GTP-gamma-S binding				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204453 (CHEMBL263096 | MCL-444) Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24| Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)	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	1.10	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at huma kappa opioid receptor expressed in CHO cells assessed as U50488-stimulated of [35S]GTP-gamma-S binding				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair