Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'grossman' and Initial = 'sg'   

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)	BDBM50286261 ((S)-2-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...) Show SMILES CC[C@H](CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C(O)=O Show InChI InChI=1S/C34H36ClNO3S/c1-4-24(33(37)38)22-40-32(19-15-25-9-5-6-11-30(25)34(2,3)39)27-10-7-8-23(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-14,16-18,20-21,24,32,39H,4,15,19,22H2,1-3H3,(H,37,38)/b17-12+/t24-,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.200	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286257 ((2R,3R)-3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl...) Show SMILES C[C@@H](S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)[C@H](C)C(O)=O Show InChI InChI=1S/C34H36ClNO3S/c1-22(33(37)38)23(2)40-32(19-15-25-9-5-6-11-30(25)34(3,4)39)27-10-7-8-24(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-14,16-18,20-23,32,39H,15,19H2,1-4H3,(H,37,38)/b17-12+/t22-,23+,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.300	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286260 (4-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]...) Show SMILES CC(C)(CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)CC(O)=O Show InChI InChI=1S/C35H38ClNO3S/c1-34(2,22-33(38)39)23-41-32(19-15-25-9-5-6-11-30(25)35(3,4)40)27-10-7-8-24(20-27)12-17-29-18-14-26-13-16-28(36)21-31(26)37-29/h5-14,16-18,20-21,32,40H,15,19,22-23H2,1-4H3,(H,38,39)/b17-12+/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.300	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
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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286262 (4-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]...) Show SMILES CC(CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)CC(O)=O Show InChI InChI=1S/C34H36ClNO3S/c1-23(19-33(37)38)22-40-32(18-14-25-8-4-5-10-30(25)34(2,3)39)27-9-6-7-24(20-27)11-16-29-17-13-26-12-15-28(35)21-31(26)36-29/h4-13,15-17,20-21,23,32,39H,14,18-19,22H2,1-3H3,(H,37,38)/b16-11+/t23?,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.430	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	0.440	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				3D Structure (crystal)
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286255 (3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]...) Show SMILES CC(S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C(C)C(O)=O Show InChI InChI=1S/C34H36ClNO3S/c1-22(33(37)38)23(2)40-32(19-15-25-9-5-6-11-30(25)34(3,4)39)27-10-7-8-24(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-14,16-18,20-23,32,39H,15,19H2,1-4H3,(H,37,38)/b17-12+/t22?,23?,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.440	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052024 (CHEMBL787 | montelukast) Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r| Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	0.5	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286254 (3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]...) Show SMILES CCC(CC(O)=O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C34H36ClNO3S/c1-4-29(22-33(37)38)40-32(19-15-24-9-5-6-11-30(24)34(2,3)39)26-10-7-8-23(20-26)12-17-28-18-14-25-13-16-27(35)21-31(25)36-28/h5-14,16-18,20-21,29,32,39H,4,15,19,22H2,1-3H3,(H,37,38)/b17-12+/t29?,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.580	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286256 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.600	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286259 (3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]...) Show SMILES CC(C)(CC(O)=O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C34H36ClNO3S/c1-33(2,22-32(37)38)40-31(19-15-24-9-5-6-11-29(24)34(3,4)39)26-10-7-8-23(20-26)12-17-28-18-14-25-13-16-27(35)21-30(25)36-28/h5-14,16-18,20-21,31,39H,15,19,22H2,1-4H3,(H,37,38)/b17-12+/t31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.680	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
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)	BDBM50052019 (CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...) Show SMILES CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/p-1/b10-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	1.5	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50286258 ((2S,3S)-3-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl...) Show SMILES C[C@H](S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)[C@@H](C)C(O)=O Show InChI InChI=1S/C34H36ClNO3S/c1-22(33(37)38)23(2)40-32(19-15-25-9-5-6-11-30(25)34(3,4)39)27-10-7-8-24(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-14,16-18,20-23,32,39H,15,19H2,1-4H3,(H,37,38)/b17-12+/t22-,23+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.30	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052019 (CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...) Show SMILES CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/p-1/b10-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	2.5	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052029 (CHEMBL89340 | L-668019 | MK-679 | Sodium; 3-[(R)-{...) Show SMILES CN(C)C(=O)CCS[C@H](SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/p-1/b10-6+/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	3.10	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