null

SMILES: CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21

InChI Key: InChIKey=FZXSXMYFIZKXPT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50007550   

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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Dopamine receptor D2 using raclopride as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Sigma opioid receptor using DTG as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against sigma receptor using DTG as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against sigma receptor using DTG as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Sigma opioid receptor using DTG as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Dopamine receptor D1 using SCH-23390 as radioligand				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C (Homo sapiens (Human))	BDBM50007550 (3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...) Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17| Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1				J Med Chem 34: 1707-14 (1991) BindingDB Entry DOI: 10.7270/Q2ZP4534
					More data for this Ligand-Target Pair