BDBM50523471 CHEMBL4443054

SMILES: Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1

InChI Key: InChIKey=FAUOIWKXVZMERY-UHFFFAOYSA-N

Data: 6 KI  5 IC50  5 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 16 hits for monomerid = 50523471   

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))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting me...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting me...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H](R)-(+)-7-OH-DPAT from human D2L receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting met...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H](R)-(+)-7-OH-DPAT from human D3 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting meth...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at human D2L receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins ...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at human D3 receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminesce...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	463	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAMP...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at human D2L receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminesc...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	278	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at human D4 receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminesce...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D2L receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured afte...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at human D4 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins b...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D2L receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAM...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231
					More data for this Ligand-Target Pair