Compile Data Set for Download or QSAR

Found 442 hits with Last Name = 'ohno' and Initial = 'k'   

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
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101405 (CHEMBL3393931) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101398 (CHEMBL3393930) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101399 (CHEMBL3393929) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCSC3=N[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@]4([H])O3)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:38,t:22| Show InChI InChI=1S/C30H52N2O10S2/c33-17-19-21(35)23(37)25-27(39-19)31-29(41-25)43-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-44-30-32-28-26(42-30)24(38)22(36)20(18-34)40-28/h19-28,33-38H,1-18H2/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101401 (CHEMBL3393928) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101405 (CHEMBL3393931) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101398 (CHEMBL3393930) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCF)=N2 |r,c:32| Show InChI InChI=1S/C23H42FNO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101401 (CHEMBL3393928) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32| Show InChI InChI=1S/C23H42INO5S/c24-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-25-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,26-28H,1-17H2/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Bos taurus)	BDBM50101399 (CHEMBL3393929) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCSC3=N[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@]4([H])O3)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:38,t:22| Show InChI InChI=1S/C30H52N2O10S2/c33-17-19-21(35)23(37)25-27(39-19)31-29(41-25)43-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-44-30-32-28-26(42-30)24(38)22(36)20(18-34)40-28/h19-28,33-38H,1-18H2/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 6 (Homo sapiens (Human))	BDBM50304425 (2-(4-morpholinophenylamino)-4-(2,3,6-trifluorobenz...) Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1c(F)ccc(F)c1F Show InChI InChI=1S/C22H21F3N6O2/c23-17-5-6-18(24)19(25)15(17)11-27-21-16(20(26)32)12-28-22(30-21)29-13-1-3-14(4-2-13)31-7-9-33-10-8-31/h1-6,12H,7-11H2,(H2,26,32)(H2,27,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of STAT6 in IL4-stimulated human FW4 reporter cells by luciferase assay				Bioorg Med Chem 17: 6926-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.021 BindingDB Entry DOI: 10.7270/Q2RV0NS7
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264699 (US9718771, 2-45) Show SMILES CCC(N(CC)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(C)c(CN2CC(C2)C(O)=O)c1 Show InChI InChI=1S/C24H28ClF3N2O2/c1-4-22(30(5-2)19-8-9-21(25)20(11-19)24(26,27)28)16-7-6-15(3)17(10-16)12-29-13-18(14-29)23(31)32/h6-11,18,22H,4-5,12-14H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264702 (US9718771, 2-49) Show SMILES CCN(C(C)c1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1cccc(Cl)c1 Show InChI InChI=1S/C22H27ClN2O2/c1-4-25(21-7-5-6-20(23)11-21)16(3)17-9-8-15(2)18(10-17)12-24-13-19(14-24)22(26)27/h5-11,16,19H,4,12-14H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261482 (US10011568, Ex. No. 5 | US9708266, 5) Show SMILES CN(C(=O)C(C)(CO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;6.31,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C33H33F7N2O4/c1-18-10-24(34)8-9-25(18)26-15-27(20-6-4-19(5-7-20)11-29(44)45)41-16-28(26)42(3)30(46)31(2,17-43)21-12-22(32(35,36)37)14-23(13-21)33(38,39)40/h8-10,12-16,19-20,43H,4-7,11,17H2,1-3H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50297172 (CHEMBL560275 | N-{(3R)-1-[(6-Fluoro-2-naphthyl)met...) Show SMILES [#6]-c1ccc(-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]/[#6](=O)-[#7]-[#6@@H]-2-[#6]-[#6]-[#7](-[#6]-c3ccc4cc(F)ccc4c3)-[#6]-2)c(-[#8])c1 |r| Show InChI InChI=1S/C30H32FN3O3/c1-20-2-7-27(28(35)14-20)30(37)34-12-8-21(9-13-34)16-29(36)32-26-10-11-33(19-26)18-22-3-4-24-17-25(31)6-5-23(24)15-22/h2-7,14-17,26,35H,8-13,18-19H2,1H3,(H,32,36)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR3 expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium flux				Bioorg Med Chem 17: 5989-6002 (2009) Article DOI: 10.1016/j.bmc.2009.06.066 BindingDB Entry DOI: 10.7270/Q2WD40NV
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261482 (US10011568, Ex. No. 5 | US9708266, 5) Show SMILES CN(C(=O)C(C)(CO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;6.31,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C33H33F7N2O4/c1-18-10-24(34)8-9-25(18)26-15-27(20-6-4-19(5-7-20)11-29(44)45)41-16-28(26)42(3)30(46)31(2,17-43)21-12-22(32(35,36)37)14-23(13-21)33(38,39)40/h8-10,12-16,19-20,43H,4-7,11,17H2,1-3H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				US Patent US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472616 (CHEMBL65325) Show SMILES CN1CC\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C19H29NO3S/c1-18(2,3)15-11-13(12-16(17(15)21)19(4,5)6)10-14-8-9-20(7)24(14,22)23/h10-12,21H,8-9H2,1-7H3/b14-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472623 (CHEMBL294100) Show SMILES CC(C)(C)c1cc(\C=C2\CCNS2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H27NO3S/c1-17(2,3)14-10-12(9-13-7-8-19-23(13,21)22)11-15(16(14)20)18(4,5)6/h9-11,19-20H,7-8H2,1-6H3/b13-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261483 (US10011568, Ex. No. 6 | US9708266, 6) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(O)(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C33H33F7N2O4/c1-18-11-23(34)5-6-24(18)25-15-26(19-7-9-31(46,10-8-19)16-28(43)44)41-17-27(25)42(4)29(45)30(2,3)20-12-21(32(35,36)37)14-22(13-20)33(38,39)40/h5-6,11-15,17,19,46H,7-10,16H2,1-4H3,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472618 (CHEMBL303092) Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C19H29NO4S/c1-18(2,3)15-11-13(12-16(17(15)21)19(4,5)6)10-14-8-9-20(24-7)25(14,22)23/h10-12,21H,8-9H2,1-7H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472624 (CHEMBL62439) Show SMILES CC(C)(C)c1cc(\C=C2/CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C24H30ClNO3S/c1-23(2,3)20-14-16(15-21(22(20)27)24(4,5)6)13-19-11-12-26(30(19,28)29)18-9-7-17(25)8-10-18/h7-10,13-15,27H,11-12H2,1-6H3/b19-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472632 (CHEMBL65140) Show SMILES CC(=O)N1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C20H29NO4S/c1-13(22)21-9-8-15(26(21,24)25)10-14-11-16(19(2,3)4)18(23)17(12-14)20(5,6)7/h10-12,23H,8-9H2,1-7H3/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264671 (US9718771, 2-6) Show SMILES CCN(Cc1cccc(CO)c1)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C17H20ClNO/c1-3-19(16-8-7-13(2)17(18)10-16)11-14-5-4-6-15(9-14)12-20/h4-10,20H,3,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50297171 (CHEMBL551735 | N-{(3R)-1-[(6-Fluoro-2-naphthyl)met...) Show SMILES [#8]-c1ccccc1-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#7](-[#6]-c2ccc3cc(F)ccc3c2)-[#6]-1 |r| Show InChI InChI=1S/C29H30FN3O3/c30-24-8-7-22-15-21(5-6-23(22)17-24)18-32-12-11-25(19-32)31-28(35)16-20-9-13-33(14-10-20)29(36)26-3-1-2-4-27(26)34/h1-8,15-17,25,34H,9-14,18-19H2,(H,31,35)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR3 expressed in mouse B300-19 cells by functional inhibition curve analysis				Bioorg Med Chem 17: 5989-6002 (2009) Article DOI: 10.1016/j.bmc.2009.06.066 BindingDB Entry DOI: 10.7270/Q2WD40NV
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261483 (US10011568, Ex. No. 6 | US9708266, 6) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(O)(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C33H33F7N2O4/c1-18-11-23(34)5-6-24(18)25-15-26(19-7-9-31(46,10-8-19)16-28(43)44)41-17-27(25)42(4)29(45)30(2,3)20-12-21(32(35,36)37)14-22(13-20)33(38,39)40/h5-6,11-15,17,19,46H,7-10,16H2,1-4H3,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				US Patent US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472627 (CHEMBL304489) Show SMILES CC(C)(C)c1cc(\C=C2\CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C24H30ClNO3S/c1-23(2,3)20-14-16(15-21(22(20)27)24(4,5)6)13-19-11-12-26(30(19,28)29)18-9-7-17(25)8-10-18/h7-10,13-15,27H,11-12H2,1-6H3/b19-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264691 (US9718771, 2-32) Show SMILES CCN(C(C)c1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C22H26Cl2N2O2/c1-4-26(19-6-8-20(23)14(2)9-19)15(3)16-5-7-21(24)17(10-16)11-25-12-18(13-25)22(27)28/h5-10,15,18H,4,11-13H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264676 (US9718771, 2-11) Show SMILES CCN(C(C)c1ccc(C)c(CO)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO/c1-4-27(13(3)14-6-5-12(2)15(7-14)11-28)18-9-16(19(21,22)23)8-17(10-18)20(24,25)26/h5-10,13,28H,4,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264706 (US9718771, 4-1) Show SMILES CCN(C1CCc2c1cccc2C#N)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C19H19ClN2/c1-3-22(15-7-9-18(20)13(2)11-15)19-10-8-16-14(12-21)5-4-6-17(16)19/h4-7,9,11,19H,3,8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264688 (US9718771, 2-29) Show SMILES CCN(C(C)c1cc(Cl)cc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C22H26Cl2N2O2/c1-4-26(20-5-6-21(24)14(2)7-20)15(3)17-8-16(9-19(23)10-17)11-25-12-18(13-25)22(27)28/h5-10,15,18H,4,11-13H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264712 (US9718771, 6-5) Show SMILES CCN([C@H](C)c1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C22H27ClN2O2/c1-4-25(20-8-9-21(23)15(2)10-20)16(3)18-7-5-6-17(11-18)12-24-13-19(14-24)22(26)27/h5-11,16,19H,4,12-14H2,1-3H3,(H,26,27)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264672 (US9718771, 2-7) Show SMILES CCN(Cc1cccc(CO)c1)c1ccc(C)c(C)c1 Show InChI InChI=1S/C18H23NO/c1-4-19(18-9-8-14(2)15(3)10-18)12-16-6-5-7-17(11-16)13-20/h5-11,20H,4,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM292016 (US10100030, Example 11) Show SMILES C[C@H](C1CCN(CC1)c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C#N)C(O)=O |r| Show InChI InChI=1S/C34H33F7N4O3/c1-18-12-24(35)6-7-25(18)26-16-28(45-10-8-20(9-11-45)19(2)30(46)47)43-27(17-42)29(26)44(5)31(48)32(3,4)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h6-7,12-16,19-20H,8-11H2,1-5H3,(H,46,47)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.32	n/a	n/a	n/a	n/a	7.4	60
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 uL/well. DMSO solutions of a ...				US Patent US10100030 (2018) BindingDB Entry DOI: 10.7270/Q2W95C7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261478 (US10011568, Ex. No. 1 | US9708266, 1) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC1)C(O)=O |(.67,1.92,;.67,.38,;2,-.39,;2,-1.93,;3.33,.38,;2.56,1.72,;4.1,1.72,;4.67,-.39,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;7.34,-.39,;6,.38,;8.67,.38,;10,-.39,;8.67,1.92,;10,1.15,;6,-4.24,;7.34,-5.01,;4.67,-5.01,;6,-5.78,;-.67,-.39,;-.67,-1.93,;-2,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-2,1.92,;-.67,2.69,;-.67,4.23,;-2,5,;-2,6.54,;-3.33,4.23,;-3.33,2.69,;-4.67,1.92,;-4.67,-2.7,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-8.67,-5.01,;-10,-4.24,;-8.67,-6.54,)| Show InChI InChI=1S/C32H31F7N2O3/c1-17-11-23(33)9-10-24(17)25-15-26(18-5-7-19(8-6-18)28(42)43)40-16-27(25)41(4)29(44)30(2,3)20-12-21(31(34,35)36)14-22(13-20)32(37,38)39/h9-16,18-19H,5-8H2,1-4H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.45	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				US Patent US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261478 (US10011568, Ex. No. 1 | US9708266, 1) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC1)C(O)=O |(.67,1.92,;.67,.38,;2,-.39,;2,-1.93,;3.33,.38,;2.56,1.72,;4.1,1.72,;4.67,-.39,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;7.34,-.39,;6,.38,;8.67,.38,;10,-.39,;8.67,1.92,;10,1.15,;6,-4.24,;7.34,-5.01,;4.67,-5.01,;6,-5.78,;-.67,-.39,;-.67,-1.93,;-2,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-2,1.92,;-.67,2.69,;-.67,4.23,;-2,5,;-2,6.54,;-3.33,4.23,;-3.33,2.69,;-4.67,1.92,;-4.67,-2.7,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-8.67,-5.01,;-10,-4.24,;-8.67,-6.54,)| Show InChI InChI=1S/C32H31F7N2O3/c1-17-11-23(33)9-10-24(17)25-15-26(18-5-7-19(8-6-18)28(42)43)40-16-27(25)41(4)29(44)30(2,3)20-12-21(31(34,35)36)14-22(13-20)32(37,38)39/h9-16,18-19H,5-8H2,1-4H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264693 (US9718771, 2-34) Show SMILES CCN(C(C)c1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C22H23Cl2F3N2O2/c1-3-29(17-5-7-20(24)18(9-17)22(25,26)27)13(2)14-4-6-19(23)15(8-14)10-28-11-16(12-28)21(30)31/h4-9,13,16H,3,10-12H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50297181 (2-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yli...) Show SMILES Fc1ccc2cc(-[#6]-[#7]-3-[#6]-[#6]-[#6@H](-[#6]-3)-[#7]-[#6](=O)\[#6]=[#6]-3/[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-c3ccc4-[#8]-[#6]-[#8]-c4c3)ccc2c1 |r| Show InChI InChI=1S/C30H30FN3O4/c31-25-5-3-22-13-21(1-2-23(22)15-25)17-33-10-9-26(18-33)32-29(35)14-20-7-11-34(12-8-20)30(36)24-4-6-27-28(16-24)38-19-37-27/h1-6,13-16,26H,7-12,17-19H2,(H,32,35)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR3 expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium flux				Bioorg Med Chem 17: 5989-6002 (2009) Article DOI: 10.1016/j.bmc.2009.06.066 BindingDB Entry DOI: 10.7270/Q2WD40NV
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261490 (US10011568, Ex. No. 13 | US9708266, 13) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:35.37,wD:38.41,(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-6.67,-3.08,;-5.33,-2.31,)| Show InChI InChI=1S/C33H33F7N2O3/c1-18-11-24(34)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h9-11,13-17,19-20H,5-8,12H2,1-4H3,(H,43,44)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.62	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				US Patent US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261490 (US10011568, Ex. No. 13 | US9708266, 13) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:35.37,wD:38.41,(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-6.67,-3.08,;-5.33,-2.31,)| Show InChI InChI=1S/C33H33F7N2O3/c1-18-11-24(34)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(43)44)41-17-28(26)42(4)30(45)31(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h9-11,13-17,19-20H,5-8,12H2,1-4H3,(H,43,44)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.62	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261484 (US10011568, Ex. No. 7 | US9708266, 7) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC2(CC2C(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C34H33F7N2O3/c1-18-11-23(35)5-6-24(18)25-15-27(19-7-9-32(10-8-19)16-26(32)29(44)45)42-17-28(25)43(4)30(46)31(2,3)20-12-21(33(36,37)38)14-22(13-20)34(39,40)41/h5-6,11-15,17,19,26H,7-10,16H2,1-4H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				US Patent US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261484 (US10011568, Ex. No. 7 | US9708266, 7) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC2(CC2C(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C34H33F7N2O3/c1-18-11-23(35)5-6-24(18)25-15-27(19-7-9-32(10-8-19)16-26(32)29(44)45)42-17-28(25)43(4)30(46)31(2,3)20-12-21(33(36,37)38)14-22(13-20)34(39,40)41/h5-6,11-15,17,19,26H,7-10,16H2,1-4H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264679 (US9718771, 2-14) Show SMILES Cc1cc(ccc1Cl)N(Cc1cccc(CO)c1)C1CCC1 Show InChI InChI=1S/C19H22ClNO/c1-14-10-18(8-9-19(14)20)21(17-6-3-7-17)12-15-4-2-5-16(11-15)13-22/h2,4-5,8-11,17,22H,3,6-7,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261479 (US10011568, Ex. No. 2 | US9708266, 2) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CCC(O)=O)CC1 |(2,1.93,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;3.9,1.72,;5.44,1.72,;6,-.38,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;7.34,.38,;10,.38,;11.34,-.38,;10,1.93,;11.34,1.15,;7.34,-4.23,;8.67,-5,;6,-5,;7.34,-5.78,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;.67,4.23,;-.67,5,;-.67,6.54,;-2,4.23,;-2,2.69,;-3.33,1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-6,-4.23,;-7.34,-5,;-8.67,-4.23,;-10,-5,;-11.34,-4.23,;-10,-6.54,;-4.67,-5,;-3.33,-4.23,)| Show InChI InChI=1S/C34H35F7N2O3/c1-19-13-25(35)10-11-26(19)27-17-28(21-8-5-20(6-9-21)7-12-30(44)45)42-18-29(27)43(4)31(46)32(2,3)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-11,13-18,20-21H,5-9,12H2,1-4H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				US Patent US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261479 (US10011568, Ex. No. 2 | US9708266, 2) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CCC(O)=O)CC1 |(2,1.93,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;3.9,1.72,;5.44,1.72,;6,-.38,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;7.34,.38,;10,.38,;11.34,-.38,;10,1.93,;11.34,1.15,;7.34,-4.23,;8.67,-5,;6,-5,;7.34,-5.78,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;.67,4.23,;-.67,5,;-.67,6.54,;-2,4.23,;-2,2.69,;-3.33,1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-6,-4.23,;-7.34,-5,;-8.67,-4.23,;-10,-5,;-11.34,-4.23,;-10,-6.54,;-4.67,-5,;-3.33,-4.23,)| Show InChI InChI=1S/C34H35F7N2O3/c1-19-13-25(35)10-11-26(19)27-17-28(21-8-5-20(6-9-21)7-12-30(44)45)42-18-29(27)43(4)31(46)32(2,3)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-11,13-18,20-21H,5-9,12H2,1-4H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50297183 (CHEMBL551738 | N-{(3R)-1-[(6-Fluoro-2-naphthyl)met...) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#7](-[#6]-c2ccc3cc(F)ccc3c2)-[#6]-1 |r| Show InChI InChI=1S/C30H32FN3O3/c1-37-28-8-5-23(6-9-28)30(36)34-14-10-21(11-15-34)17-29(35)32-27-12-13-33(20-27)19-22-2-3-25-18-26(31)7-4-24(25)16-22/h2-9,16-18,27H,10-15,19-20H2,1H3,(H,32,35)/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR3 expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium flux				Bioorg Med Chem 17: 5989-6002 (2009) Article DOI: 10.1016/j.bmc.2009.06.066 BindingDB Entry DOI: 10.7270/Q2WD40NV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264701 (US9718771, 2-47) Show SMILES CCN(C(C)c1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN2O2/c1-4-25(21-9-7-20(23)8-10-21)16(3)17-6-5-15(2)18(11-17)12-24-13-19(14-24)22(26)27/h5-11,16,19H,4,12-14H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264684 (US9718771, 2-21) Show SMILES CCN(C1CCc2c1ccc(C)c2CN1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C24H29ClN2O2/c1-4-27(18-6-9-22(25)16(3)11-18)23-10-8-19-20(23)7-5-15(2)21(19)14-26-12-17(13-26)24(28)29/h5-7,9,11,17,23H,4,8,10,12-14H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM264700 (US9718771, 2-46) Show SMILES CCC(N(CC)c1ccc(Cl)c(C)c1)c1ccc(C)c(CN2CC(C2)C(O)=O)c1 Show InChI InChI=1S/C24H31ClN2O2/c1-5-23(27(6-2)21-9-10-22(25)17(4)11-21)18-8-7-16(3)19(12-18)13-26-14-20(15-26)24(28)29/h7-12,20,23H,5-6,13-15H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 442 total )  |  Next  |  Last  >>

Jump to: