BDBM50204454 CHEMBL242047::MCL-432

SMILES: CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=CDJRHRPFKCSONV-UHFFFAOYSA-N

Data: 3 KI  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 5 hits for monomerid = 50204454   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204454 (CHEMBL242047 | MCL-432) Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:21:20:9.26.10:12,27:26:12:20.18.19| Show InChI InChI=1S/C24H34N2O2/c1-2-25-23(27)28-19-10-9-18-14-22-20-8-3-4-11-24(20,21(18)15-19)12-13-26(22)16-17-6-5-7-17/h9-10,15,17,20,22H,2-8,11-14,16H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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]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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204454 (CHEMBL242047 | MCL-432) Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:21:20:9.26.10:12,27:26:12:20.18.19| Show InChI InChI=1S/C24H34N2O2/c1-2-25-23(27)28-19-10-9-18-14-22-20-8-3-4-11-24(20,21(18)15-19)12-13-26(22)16-17-6-5-7-17/h9-10,15,17,20,22H,2-8,11-14,16H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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]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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50204454 (CHEMBL242047 | MCL-432) Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:21:20:9.26.10:12,27:26:12:20.18.19| Show InChI InChI=1S/C24H34N2O2/c1-2-25-23(27)28-19-10-9-18-14-22-20-8-3-4-11-24(20,21(18)15-19)12-13-26(22)16-17-6-5-7-17/h9-10,15,17,20,22H,2-8,11-14,16H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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))	BDBM50204454 (CHEMBL242047 | MCL-432) Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:21:20:9.26.10:12,27:26:12:20.18.19| Show InChI InChI=1S/C24H34N2O2/c1-2-25-23(27)28-19-10-9-18-14-22-20-8-3-4-11-24(20,21(18)15-19)12-13-26(22)16-17-6-5-7-17/h9-10,15,17,20,22H,2-8,11-14,16H2,1H3,(H,25,27)	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	39	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204454 (CHEMBL242047 | MCL-432) Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:21:20:9.26.10:12,27:26:12:20.18.19| Show InChI InChI=1S/C24H34N2O2/c1-2-25-23(27)28-19-10-9-18-14-22-20-8-3-4-11-24(20,21(18)15-19)12-13-26(22)16-17-6-5-7-17/h9-10,15,17,20,22H,2-8,11-14,16H2,1H3,(H,25,27)	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	23	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