BDBM50200599 3-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-piperidin-4-yl}-2-oxo-2,3-dihydro-benzimidazol-1-yl)-propionic acid methyl ester::CHEMBL391234

SMILES: COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O

InChI Key: InChIKey=JFJLRJIRAMFOPA-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 = 50200599   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM50200599 (3-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpe...) Show SMILES COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21| Show InChI InChI=1S/C30H41N3O5/c1-21(2)27(38-28-20-24(36-4)11-10-22(28)3)14-18-31-16-12-23(13-17-31)33-26-9-7-6-8-25(26)32(30(33)35)19-15-29(34)37-5/h6-11,20-21,23,27H,12-19H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells				Bioorg Med Chem 15: 1828-47 (2007) Article DOI: 10.1016/j.bmc.2006.11.030 BindingDB Entry DOI: 10.7270/Q27S7NF2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50200599 (3-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpe...) Show SMILES COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21| Show InChI InChI=1S/C30H41N3O5/c1-21(2)27(38-28-20-24(36-4)11-10-22(28)3)14-18-31-16-12-23(13-17-31)33-26-9-7-6-8-25(26)32(30(33)35)19-15-29(34)37-5/h6-11,20-21,23,27H,12-19H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	271	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells				Bioorg Med Chem 15: 1828-47 (2007) Article DOI: 10.1016/j.bmc.2006.11.030 BindingDB Entry DOI: 10.7270/Q27S7NF2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50200599 (3-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpe...) Show SMILES COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21| Show InChI InChI=1S/C30H41N3O5/c1-21(2)27(38-28-20-24(36-4)11-10-22(28)3)14-18-31-16-12-23(13-17-31)33-26-9-7-6-8-25(26)32(30(33)35)19-15-29(34)37-5/h6-11,20-21,23,27H,12-19H2,1-5H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	671	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from KOP receptor in guinea pig cortical tissue				Bioorg Med Chem 15: 1828-47 (2007) Article DOI: 10.1016/j.bmc.2006.11.030 BindingDB Entry DOI: 10.7270/Q27S7NF2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50200599 (3-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpe...) Show SMILES COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21| Show InChI InChI=1S/C30H41N3O5/c1-21(2)27(38-28-20-24(36-4)11-10-22(28)3)14-18-31-16-12-23(13-17-31)33-26-9-7-6-8-25(26)32(30(33)35)19-15-29(34)37-5/h6-11,20-21,23,27H,12-19H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human DOP receptor expressed in deltaC6 cells				Bioorg Med Chem 15: 1828-47 (2007) Article DOI: 10.1016/j.bmc.2006.11.030 BindingDB Entry DOI: 10.7270/Q27S7NF2
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50200599 (3-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpe...) Show SMILES COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21| Show InChI InChI=1S/C30H41N3O5/c1-21(2)27(38-28-20-24(36-4)11-10-22(28)3)14-18-31-16-12-23(13-17-31)33-26-9-7-6-8-25(26)32(30(33)35)19-15-29(34)37-5/h6-11,20-21,23,27H,12-19H2,1-5H3	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	123	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs				Bioorg Med Chem 15: 1828-47 (2007) Article DOI: 10.1016/j.bmc.2006.11.030 BindingDB Entry DOI: 10.7270/Q27S7NF2
					More data for this Ligand-Target Pair