BDBM50200598 1-(2-dimethylamino-ethyl)-3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzimidazol-2-one::CHEMBL238795

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

InChI Key: InChIKey=FHYHHLGBGCSPJW-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50200598   

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))	BDBM50200598 (1-(2-dimethylamino-ethyl)-3-{1-[3-(5-methoxy-2-met...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C30H44N4O3/c1-22(2)28(37-29-21-25(36-6)12-11-23(29)3)15-18-32-16-13-24(14-17-32)34-27-10-8-7-9-26(27)33(30(34)35)20-19-31(4)5/h7-12,21-22,24,28H,13-20H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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))	BDBM50200598 (1-(2-dimethylamino-ethyl)-3-{1-[3-(5-methoxy-2-met...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C30H44N4O3/c1-22(2)28(37-29-21-25(36-6)12-11-23(29)3)15-18-32-16-13-24(14-17-32)34-27-10-8-7-9-26(27)33(30(34)35)20-19-31(4)5/h7-12,21-22,24,28H,13-20H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	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))	BDBM50200598 (1-(2-dimethylamino-ethyl)-3-{1-[3-(5-methoxy-2-met...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C30H44N4O3/c1-22(2)28(37-29-21-25(36-6)12-11-23(29)3)15-18-32-16-13-24(14-17-32)34-27-10-8-7-9-26(27)33(30(34)35)20-19-31(4)5/h7-12,21-22,24,28H,13-20H2,1-6H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.28E+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]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
Nociceptin receptor (Homo sapiens (Human))	BDBM50200598 (1-(2-dimethylamino-ethyl)-3-{1-[3-(5-methoxy-2-met...) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8| Show InChI InChI=1S/C30H44N4O3/c1-22(2)28(37-29-21-25(36-6)12-11-23(29)3)15-18-32-16-13-24(14-17-32)34-27-10-8-7-9-26(27)33(30(34)35)20-19-31(4)5/h7-12,21-22,24,28H,13-20H2,1-6H3	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	810	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