BDBM50335577 1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-1-yl]-piperidin-1-yl}cyclooctanecarboxylic acid::CHEMBL1650850

SMILES: CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O

InChI Key: InChIKey=CHBDXTWCDXXNIV-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50335577   

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))	BDBM50335577 (1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-1...) Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O Show InChI InChI=1S/C26H39N5O2/c1-28-17-19-29(20-18-28)25-27-22-9-5-6-10-23(22)31(25)21-11-15-30(16-12-21)26(24(32)33)13-7-3-2-4-8-14-26/h5-6,9-10,21H,2-4,7-8,11-20H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50335577 (1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-1...) Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O Show InChI InChI=1S/C26H39N5O2/c1-28-17-19-29(20-18-28)25-27-22-9-5-6-10-23(22)31(25)21-11-15-30(16-12-21)26(24(32)33)13-7-3-2-4-8-14-26/h5-6,9-10,21H,2-4,7-8,11-20H2,1H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50335577 (1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-1...) Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O Show InChI InChI=1S/C26H39N5O2/c1-28-17-19-29(20-18-28)25-27-22-9-5-6-10-23(22)31(25)21-11-15-30(16-12-21)26(24(32)33)13-7-3-2-4-8-14-26/h5-6,9-10,21H,2-4,7-8,11-20H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins				Bioorg Med Chem 18: 7675-99 (2010) Article DOI: 10.1016/j.bmc.2010.07.034 BindingDB Entry DOI: 10.7270/Q2DF6S69
					More data for this Ligand-Target Pair