BDBM50465942 CHEMBL4278861

SMILES: Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1C

InChI Key: InChIKey=VNGSAFKJOYCSHN-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50465942   

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))	BDBM50465942 (CHEMBL4278861) Show SMILES Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1C |(51.19,-1.16,;52.34,-2.18,;53.85,-1.85,;54.62,-3.18,;56.12,-3.49,;56.61,-4.94,;55.59,-6.09,;54.08,-5.78,;53.6,-4.33,;52.19,-3.72,;50.86,-4.5,;50.87,-6.05,;49.54,-6.82,;48.2,-6.05,;46.87,-6.83,;46.88,-8.37,;48.21,-9.13,;48.22,-10.67,;46.88,-11.45,;45.54,-10.68,;44.08,-11.16,;43.17,-9.92,;44.07,-8.67,;45.54,-9.14,;48.19,-4.51,;49.52,-3.74,;49.5,-2.2,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465942 (CHEMBL4278861) Show SMILES Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1C |(51.19,-1.16,;52.34,-2.18,;53.85,-1.85,;54.62,-3.18,;56.12,-3.49,;56.61,-4.94,;55.59,-6.09,;54.08,-5.78,;53.6,-4.33,;52.19,-3.72,;50.86,-4.5,;50.87,-6.05,;49.54,-6.82,;48.2,-6.05,;46.87,-6.83,;46.88,-8.37,;48.21,-9.13,;48.22,-10.67,;46.88,-11.45,;45.54,-10.68,;44.08,-11.16,;43.17,-9.92,;44.07,-8.67,;45.54,-9.14,;48.19,-4.51,;49.52,-3.74,;49.5,-2.2,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at dopamine D1 receptor (unknown origin) assessed as increase in cAMP accumulation				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465942 (CHEMBL4278861) Show SMILES Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1C |(51.19,-1.16,;52.34,-2.18,;53.85,-1.85,;54.62,-3.18,;56.12,-3.49,;56.61,-4.94,;55.59,-6.09,;54.08,-5.78,;53.6,-4.33,;52.19,-3.72,;50.86,-4.5,;50.87,-6.05,;49.54,-6.82,;48.2,-6.05,;46.87,-6.83,;46.88,-8.37,;48.21,-9.13,;48.22,-10.67,;46.88,-11.45,;45.54,-10.68,;44.08,-11.16,;43.17,-9.92,;44.07,-8.67,;45.54,-9.14,;48.19,-4.51,;49.52,-3.74,;49.5,-2.2,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	416	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human dopamine D1 receptor expressed in HEK293T cells assessed as induction of cAMP levels after 30 mins by HTRF assay				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair