BDBM50181379 1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-piperidine)-1-ylpropyl]-L-prolineamide::CHEMBL370870

SMILES: O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1

InChI Key: InChIKey=SXKJNRIJMAGHAV-SANMLTNESA-N

Data: 5 IC50  1 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 6 hits for monomerid = 50181379   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50181379 (1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...) Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1 Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from cloned human delta opioid receptor expressed in CHO cells				J Med Chem 49: 847-9 (2006) Article DOI: 10.1021/jm0509851 BindingDB Entry DOI: 10.7270/Q2DJ5F78
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50181379 (1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...) Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1 Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Agonist activity on nociceptin-induced maximal [35S]GTP-gamma-S binding to ORL1 expressed in CHO cells				J Med Chem 49: 847-9 (2006) Article DOI: 10.1021/jm0509851 BindingDB Entry DOI: 10.7270/Q2DJ5F78
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50181379 (1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...) Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1 Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m0/s1	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-nociceptin from cloned human ORL1 expressed in CHO cells				J Med Chem 49: 847-9 (2006) Article DOI: 10.1021/jm0509851 BindingDB Entry DOI: 10.7270/Q2DJ5F78
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50181379 (1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...) Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1 Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m0/s1	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	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from cloned human kappa opioid receptor expressed in CHO cells				J Med Chem 49: 847-9 (2006) Article DOI: 10.1021/jm0509851 BindingDB Entry DOI: 10.7270/Q2DJ5F78
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50181379 (1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...) Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1 Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphin from cloned human mu opioid receptor expressed in CHO cells				J Med Chem 49: 847-9 (2006) Article DOI: 10.1021/jm0509851 BindingDB Entry DOI: 10.7270/Q2DJ5F78
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50181379 (1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...) Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1 Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m0/s1	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	42	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity on nociceptin-induced [35S]GTPgammaS binding to ORL1 expressed in CHO cells				J Med Chem 49: 847-9 (2006) Article DOI: 10.1021/jm0509851 BindingDB Entry DOI: 10.7270/Q2DJ5F78
					More data for this Ligand-Target Pair