BDBM50027074 CHEMBL3335537

SMILES: C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1

InChI Key: InChIKey=JVQBISWUXRKBAJ-QGZVFWFLSA-N

Data: 7 KI  8 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 15 hits for monomerid = 50027074   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D4 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL					Assay Description Inhibition of human dopamine D3 receptor				J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D3 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL					Assay Description Inhibition of human dopamine D1 receptor				J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D1 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D2 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL					Assay Description Inhibition of human dopamine D2 receptor				J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by electrospray ionization				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D1 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D2 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D3 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D4 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by electrospray ionization				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by electrospray ionization				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50027074 (CHEMBL3335537) Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by electrospray ionization				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair