BDBM50245983 (2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]-4-(phenylamino)-3,4-dihydro-1(2H)-quinolinecarboxamide::(2R,3S,4S)-N-(3,5-dichlorophenyl)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide::CHEMBL462373

SMILES: CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=DKSFVLSIZNWGBG-OAEOJWKDSA-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 = 50245983   

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))	BDBM50245983 ((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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))	BDBM50245983 ((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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