BDBM50286253 (S)-3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanyl}-butyric acid::CHEMBL96986

SMILES: C[C@@H](CC(O)=O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key: InChIKey=KPFOBHNLNKVBBA-CKPAVIPFSA-N

Data: 2 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 = 50286253   

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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286253 ((S)-3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...) Show SMILES C[C@@H](CC(O)=O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C33H34ClNO3S/c1-22(19-32(36)37)39-31(18-14-24-8-4-5-10-29(24)33(2,3)38)26-9-6-7-23(20-26)11-16-28-17-13-25-12-15-27(34)21-30(25)35-28/h4-13,15-17,20-22,31,38H,14,18-19H2,1-3H3,(H,36,37)/b16-11+/t22-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes(different expt)				Bioorg Med Chem Lett 5: 283-288 (1995) Article DOI: 10.1016/0960-894X(95)00023-M BindingDB Entry DOI: 10.7270/Q2KD1XW7
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286253 ((S)-3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...) Show SMILES C[C@@H](CC(O)=O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C33H34ClNO3S/c1-22(19-32(36)37)39-31(18-14-24-8-4-5-10-29(24)33(2,3)38)26-9-6-7-23(20-26)11-16-28-17-13-25-12-15-27(34)21-30(25)35-28/h4-13,15-17,20-22,31,38H,14,18-19H2,1-3H3,(H,36,37)/b16-11+/t22-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes				Bioorg Med Chem Lett 5: 283-288 (1995) Article DOI: 10.1016/0960-894X(95)00023-M BindingDB Entry DOI: 10.7270/Q2KD1XW7
					More data for this Ligand-Target Pair