Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'yamagishi' and Initial = 't'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50262566 ((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...) Show SMILES COc1cc2CCO[C@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C24H29F3N2O2/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3/t20-,22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Rattus norvegicus)	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant EP4 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Rattus norvegicus)	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant EP4 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262395 (CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...) Show SMILES COc1cc2CCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C23H27F3N2O/c1-29-21-13-16-9-10-19(23(24,25)26)18(16)12-17(21)14-28-20-8-5-11-27-22(20)15-6-3-2-4-7-15/h2-4,6-7,12-13,19-20,22,27-28H,5,8-11,14H2,1H3/t19?,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Canis lupus familiaris)	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at dog recombinant EP4 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Canis lupus familiaris)	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at dog recombinant EP4 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262280 (CHEMBL513351 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)C(F)(F)F |r| Show InChI InChI=1S/C22H27F3N2O/c1-15(22(23,24)25)17-10-11-20(28-2)18(13-17)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t15?,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232546 (CHEMBL4103046) Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262510 (CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...) Show SMILES COc1cc2CCCC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N2O/c1-24(25(26,27)28)12-6-10-18-15-22(31-2)19(14-20(18)24)16-30-21-11-7-13-29-23(21)17-8-4-3-5-9-17/h3-5,8-9,14-15,21,23,29-30H,6-7,10-13,16H2,1-2H3/t21-,23-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Trehalase (Homo sapiens (Human))	BDBM50286541 (6-(4,5-Dihydroxy-6-hydroxymethyl-tetrahydro-pyran-...) Show SMILES OCC1OCC(NC2C=C(CO)C(O)C(O)C2O)C(O)C1O |t:8| Show InChI InChI=1S/C13H23NO8/c15-2-5-1-6(10(18)13(21)9(5)17)14-7-4-22-8(3-16)12(20)11(7)19/h1,6-21H,2-4H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of trehalase from porcine kidneys				Bioorg Med Chem Lett 5: 487-490 (1995) Article DOI: 10.1016/0960-894X(95)00055-X BindingDB Entry DOI: 10.7270/Q2CR5TBX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262567 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccc(cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)C(C)C |r,wU:17.20,10.10,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(.74,-13.01,;.74,-14.67,;2.18,-15.49,;3.61,-14.66,;5.05,-15.48,;5.05,-17.15,;3.62,-17.97,;2.19,-17.14,;.76,-17.96,;-.58,-17.19,;-1.91,-17.96,;-2.8,-19.32,;-2.33,-21.05,;-3.83,-21.05,;-4.29,-19.38,;-6.02,-19.06,;-4.78,-18.76,;-3.44,-18.05,;-4.22,-16.72,;-3.46,-15.38,;-1.93,-15.38,;-1.17,-14.04,;-1.95,-12.72,;-3.49,-12.73,;-4.24,-14.06,;-5.76,-16.73,;-6.52,-15.41,;-8.06,-15.41,;-8.81,-16.74,;-8.02,-18.07,;-6.51,-18.06,;6.49,-17.97,;6.49,-19.63,;7.92,-17.14,)| Show InChI InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262279 ((2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)...) Show SMILES COc1cc2COC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C23H27F3N2O2/c1-22(23(24,25)26)18-11-16(20(29-2)12-17(18)14-30-22)13-28-19-9-6-10-27-21(19)15-7-4-3-5-8-15/h3-5,7-8,11-12,19,21,27-28H,6,9-10,13-14H2,1-2H3/t19-,21-,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50224198 ((2S,3S)-N-(2-methoxy-5-(1,1,1-trifluoro-2-methylpr...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C23H29F3N2O/c1-22(2,23(24,25)26)18-11-12-20(29-3)17(14-18)15-28-19-10-7-13-27-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21,27-28H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP2 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262337 ((2S,3S)-N-(5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H24F6N2O/c1-31-18-10-9-15(20(21(23,24)25)22(26,27)28)12-16(18)13-30-17-8-5-11-29-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19-20,29-30H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262281 ((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...) Show SMILES COc1ccc(CC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C21H25F3N2O/c1-27-19-10-9-15(13-21(22,23)24)12-17(19)14-26-18-8-5-11-25-20(18)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,20,25-26H,5,8,11,13-14H2,1H3/t18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP1 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human platelet TP receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human FP receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human IP receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP2 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50107283 (AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...) Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP1 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human platelet TP receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human FP receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human IP receptor				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262279 ((2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)...) Show SMILES COc1cc2COC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C23H27F3N2O2/c1-22(23(24,25)26)18-11-16(20(29-2)12-17(18)14-30-22)13-28-19-9-6-10-27-21(19)15-7-4-3-5-8-15/h3-5,7-8,11-12,19,21,27-28H,6,9-10,13-14H2,1-2H3/t19-,21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50224198 ((2S,3S)-N-(2-methoxy-5-(1,1,1-trifluoro-2-methylpr...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C23H29F3N2O/c1-22(2,23(24,25)26)18-11-12-20(29-3)17(14-18)15-28-19-10-7-13-27-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21,27-28H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50261732 ((2S,3S)-N-(((S)-6-methoxy-1-methyl-1-(trifluoromet...) Show SMILES COc1cc2CCO[C@@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C24H29F3N2O2/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3/t20-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262510 (CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...) Show SMILES COc1cc2CCCC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N2O/c1-24(25(26,27)28)12-6-10-18-15-22(31-2)19(14-20(18)24)16-30-21-11-7-13-29-23(21)17-8-4-3-5-9-17/h3-5,8-9,14-15,21,23,29-30H,6-7,10-13,16H2,1-2H3/t21-,23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262510 (CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...) Show SMILES COc1cc2CCCC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N2O/c1-24(25(26,27)28)12-6-10-18-15-22(31-2)19(14-20(18)24)16-30-21-11-7-13-29-23(21)17-8-4-3-5-9-17/h3-5,8-9,14-15,21,23,29-30H,6-7,10-13,16H2,1-2H3/t21-,23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262280 (CHEMBL513351 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)C(F)(F)F |r| Show InChI InChI=1S/C22H27F3N2O/c1-15(22(23,24)25)17-10-11-20(28-2)18(13-17)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t15?,19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262453 (CHEMBL479049 | R/S-(2S,3S)-N-((3-methoxy-8-(triflu...) Show SMILES COc1cc2CCCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C24H29F3N2O/c1-30-22-14-17-9-5-10-20(24(25,26)27)19(17)13-18(22)15-29-21-11-6-12-28-23(21)16-7-3-2-4-8-16/h2-4,7-8,13-14,20-21,23,28-29H,5-6,9-12,15H2,1H3/t20?,21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262336 (CHEMBL468163 | R/S-(2S,3S)-N-(2-methoxy-5-(1,2,2,2...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)C(F)(F)F |r| Show InChI InChI=1S/C21H24F4N2O/c1-28-18-10-9-15(20(22)21(23,24)25)12-16(18)13-27-17-8-5-11-26-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19-20,26-27H,5,8,11,13H2,1H3/t17-,19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262395 (CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...) Show SMILES COc1cc2CCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C23H27F3N2O/c1-29-21-13-16-9-10-19(23(24,25)26)18(16)12-17(21)14-28-20-8-5-11-27-22(20)15-6-3-2-4-7-15/h2-4,6-7,12-13,19-20,22,27-28H,5,8-11,14H2,1H3/t19?,20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262395 (CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...) Show SMILES COc1cc2CCC(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C23H27F3N2O/c1-29-21-13-16-9-10-19(23(24,25)26)18(16)12-17(21)14-28-20-8-5-11-27-22(20)15-6-3-2-4-7-15/h2-4,6-7,12-13,19-20,22,27-28H,5,8-11,14H2,1H3/t19?,20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262281 ((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...) Show SMILES COc1ccc(CC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C21H25F3N2O/c1-27-19-10-9-15(13-21(22,23)24)12-17(19)14-26-18-8-5-11-25-20(18)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,20,25-26H,5,8,11,13-14H2,1H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50262394 (CHEMBL515935 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)(OC)C(F)(F)F |r| Show InChI InChI=1S/C23H29F3N2O2/c1-22(30-3,23(24,25)26)18-11-12-20(29-2)17(14-18)15-28-19-10-7-13-27-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21,27-28H,7,10,13,15H2,1-3H3/t19-,21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells				Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232550 (CHEMBL4062620) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16Cl2N2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-10-16(23)11-24-20(18)29-17-4-2-3-15(22)9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50355882 (CHEMBL591666) Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232545 (CHEMBL4078648) Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-5-7-15(8-6-14)22(27)28)25-21(26)19-11-16(23)9-10-20(19)29-18-4-2-3-17(24)12-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232543 (CHEMBL4096216) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232548 (CHEMBL4094572) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C#N)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H16ClN3O4/c1-13(15-5-7-16(8-6-15)22(28)29)26-20(27)19-10-17(23)12-25-21(19)30-18-4-2-3-14(9-18)11-24/h2-10,12-13H,1H3,(H,26,27)(H,28,29)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50232544 (CHEMBL4099851) Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AskAt Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay				Bioorg Med Chem Lett 27: 1186-1192 (2017) Article DOI: 10.1016/j.bmcl.2017.01.067 BindingDB Entry DOI: 10.7270/Q2Q242F0
					More data for this Ligand-Target Pair

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