BDBM50200613 1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-piperidin-4-yl}-3-methylsulfanylmethyl-1,3-dihydro-benzimidazol-2-one::CHEMBL240074

SMILES: COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1

InChI Key: InChIKey=YVFIDBHSTMIDIS-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 = 50200613   

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))	BDBM50200613 (1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50200613 (1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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))	BDBM50200613 (1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	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))	BDBM50200613 (1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	608	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))	BDBM50200613 (1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3	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	33	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