BDBM50286745 (3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-ethoxy)-chroman-4-ol::CHEMBL171666

SMILES: CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1

InChI Key: InChIKey=PCOADGWBOALVHJ-XSQNJVOOSA-N

Data: 2 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 3 hits for monomerid = 50286745   

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
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50286745 ((3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...) Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)				Bioorg Med Chem Lett 5: 887-892 (1995) Article DOI: 10.1016/0960-894X(95)00135-G BindingDB Entry DOI: 10.7270/Q2J966BX
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286745 ((3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...) Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against leukotriene D4 receptor				Bioorg Med Chem Lett 5: 887-892 (1995) Article DOI: 10.1016/0960-894X(95)00135-G BindingDB Entry DOI: 10.7270/Q2J966BX
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50286745 ((3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...) Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis				Bioorg Med Chem Lett 5: 887-892 (1995) Article DOI: 10.1016/0960-894X(95)00135-G BindingDB Entry DOI: 10.7270/Q2J966BX
					More data for this Ligand-Target Pair