BDBM50246516 ((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl)(4-methoxyphenyl)methanone::CHEMBL518040

SMILES: CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1

InChI Key: InChIKey=RJDWQLQWIGSBFC-MQVPCNEGSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50246516   

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
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50246516 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50246516 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair