BDBM50465934 CHEMBL4293757

SMILES: Cc1cnn(c1-c1ccc(Oc2nccc3occc23)cc1C)C(C)(C)C

InChI Key: InChIKey=GNQPYOOQTOYIEY-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50465934   

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))	BDBM50465934 (CHEMBL4293757) Show SMILES Cc1cnn(c1-c1ccc(Oc2nccc3occc23)cc1C)C(C)(C)C |(32.4,-13.64,;33.56,-14.66,;35.05,-14.32,;35.84,-15.64,;34.83,-16.8,;33.41,-16.19,;32.09,-16.97,;32.1,-18.51,;30.77,-19.28,;29.43,-18.52,;28.1,-19.29,;28.11,-20.83,;29.44,-21.59,;29.45,-23.14,;28.11,-23.91,;26.78,-23.14,;25.32,-23.62,;24.41,-22.38,;25.3,-21.13,;26.78,-21.6,;29.42,-16.98,;30.75,-16.21,;30.74,-14.67,;35.16,-18.3,;36.64,-18.76,;34.03,-19.35,;35.6,-19.8,)| Show InChI InChI=1S/C22H23N3O2/c1-14-12-16(27-21-18-9-11-26-19(18)8-10-23-21)6-7-17(14)20-15(2)13-24-25(20)22(3,4)5/h6-13H,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	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))	BDBM50465934 (CHEMBL4293757) Show SMILES Cc1cnn(c1-c1ccc(Oc2nccc3occc23)cc1C)C(C)(C)C |(32.4,-13.64,;33.56,-14.66,;35.05,-14.32,;35.84,-15.64,;34.83,-16.8,;33.41,-16.19,;32.09,-16.97,;32.1,-18.51,;30.77,-19.28,;29.43,-18.52,;28.1,-19.29,;28.11,-20.83,;29.44,-21.59,;29.45,-23.14,;28.11,-23.91,;26.78,-23.14,;25.32,-23.62,;24.41,-22.38,;25.3,-21.13,;26.78,-21.6,;29.42,-16.98,;30.75,-16.21,;30.74,-14.67,;35.16,-18.3,;36.64,-18.76,;34.03,-19.35,;35.6,-19.8,)| Show InChI InChI=1S/C22H23N3O2/c1-14-12-16(27-21-18-9-11-26-19(18)8-10-23-21)6-7-17(14)20-15(2)13-24-25(20)22(3,4)5/h6-13H,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	895	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