Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50029454   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284686 ((3S,4S)-6-(6-Methyl-5-nitro-pyridin-2-ylmethoxy)-3...) Show SMILES Cc1nc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)ccc1[N+]([O-])=O Show InChI InChI=1S/C22H21N3O5/c1-14-20(25(27)28)6-4-17(24-14)13-29-18-5-7-21-19(10-18)22(26)16(12-30-21)9-15-3-2-8-23-11-15/h2-8,10-11,16,22,26H,9,12-13H2,1H3/t16-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284685 ((3S,4S)-6-(5-Bromo-6-methyl-pyridin-2-ylmethoxy)-3...) Show SMILES Cc1nc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)ccc1Br Show InChI InChI=1S/C22H21BrN2O3/c1-14-20(23)6-4-17(25-14)13-27-18-5-7-21-19(10-18)22(26)16(12-28-21)9-15-3-2-8-24-11-15/h2-8,10-11,16,22,26H,9,12-13H2,1H3/t16-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284680 ((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...) Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50012434 ((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...) Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1 Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284683 ((3S,4S)-6-(6-Chloro-pyridin-2-ylmethoxy)-3-pyridin...) Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C21H19ClN2O3/c22-20-5-1-4-16(24-20)13-26-17-6-7-19-18(10-17)21(25)15(12-27-19)9-14-3-2-8-23-11-14/h1-8,10-11,15,21,25H,9,12-13H2/t15-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284687 ((3S,4S)-6-(6-Fluoro-pyridin-2-ylmethoxy)-3-pyridin...) Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3cccc(F)n3)cc12 Show InChI InChI=1S/C21H19FN2O3/c22-20-5-1-4-16(24-20)13-26-17-6-7-19-18(10-17)21(25)15(12-27-19)9-14-3-2-8-23-11-14/h1-8,10-11,15,21,25H,9,12-13H2/t15-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284688 ((3S,4S)-6-(Pyridin-2-ylmethoxy)-3-pyridin-3-ylmeth...) Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C21H20N2O3/c24-21-16(10-15-4-3-8-22-12-15)13-26-20-7-6-18(11-19(20)21)25-14-17-5-1-2-9-23-17/h1-9,11-12,16,21,24H,10,13-14H2/t16-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284684 ((3S,4S)-6-(6-Methyl-pyridin-2-ylmethoxy)-3-pyridin...) Show SMILES Cc1cccc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)n1 Show InChI InChI=1S/C22H22N2O3/c1-15-4-2-6-18(24-15)14-26-19-7-8-21-20(11-19)22(25)17(13-27-21)10-16-5-3-9-23-12-16/h2-9,11-12,17,22,25H,10,13-14H2,1H3/t17-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1371-1376 (1995) Article DOI: 10.1016/0960-894X(95)00226-J BindingDB Entry DOI: 10.7270/Q2QR4X29
					More data for this Ligand-Target Pair