BDBM50321779 (R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-1'H-spiro[piperidine-4,4'-pyrano[4,3-c]pyrazole]::CHEMBL1170769

SMILES: CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1

InChI Key: InChIKey=UZYLFJRNQUYFQY-HXUWFJFHSA-N

Data: 3 KI  4 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 7 hits for monomerid = 50321779   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Eur J Med Chem 45: 3116-24 (2010) Article DOI: 10.1016/j.ejmech.2010.03.048 BindingDB Entry DOI: 10.7270/Q2XD11V4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Eur J Med Chem 45: 3116-24 (2010) Article DOI: 10.1016/j.ejmech.2010.03.048 BindingDB Entry DOI: 10.7270/Q2XD11V4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to 5-HT transporter				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to alpha-2A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to alpha-1A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair