BDBM50523473 CHEMBL4588808

SMILES: Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1

InChI Key: InChIKey=LPWRTRRXYPVJKD-UHFFFAOYSA-N

Data: 6 KI  5 IC50  1 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 12 hits for monomerid = 50523473   

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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	526	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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.49E+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(2) dopamine receptor (Homo sapiens (Human))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.85E+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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.53E+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 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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.35E+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(4) dopamine receptor (Homo sapiens (Human))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+3	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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	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(4) dopamine receptor (Homo sapiens (Human))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	568	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))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+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