BDBM186937 US9079895, 25s

SMILES: COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1

InChI Key: InChIKey=ROKNCKQMECSPFV-NRFANRHFSA-N

Data: 12 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 12 hits for monomerid = 186937   

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
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	174	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (5HT2B) (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	658	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A) (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (5HT1D) (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
Dopamine D4 receptor (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C) (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
Dopamine D3 receptor (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
Dopamine D5 receptor (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM186937 (US9079895, 25s) Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r| Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Dundee US Patent					Assay Description The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...				US Patent US9079895 (2015) BindingDB Entry DOI: 10.7270/Q2D7996K
					More data for this Ligand-Target Pair