Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'imamura' and Initial = 'y'   

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
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274048 (CHEMBL489866 | N-[(5R,6R)-17-(Cyclopropylmethyl)-4...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)CCc1ccccc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C30H36N2O4/c1-31(25(34)12-9-19-5-3-2-4-6-19)22-13-14-30(35)24-17-21-10-11-23(33)27-26(21)29(30,28(22)36-27)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,22,24,28,33,35H,7-9,12-18H2,1H3/t22-,24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274519 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:8.24.7:17.19.18| Show InChI InChI=1S/C28H32N2O4/c1-29(24(32)9-4-18-10-13-33-16-18)21-7-6-20-22-14-19-5-8-23(31)26-25(19)28(20,27(21)34-26)11-12-30(22)15-17-2-3-17/h4-5,8-10,13,16-17,20-22,27,31H,2-3,6-7,11-12,14-15H2,1H3/b9-4+/t20-,21+,22+,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274401 ((2E)-N-[(5R,6S)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22+,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274178 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccc(cc1)C(F)(F)F |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C31H33F3N2O4/c1-35(25(38)11-6-18-4-8-21(9-5-18)31(32,33)34)22-12-13-30(39)24-16-20-7-10-23(37)27-26(20)29(30,28(22)40-27)14-15-36(24)17-19-2-3-19/h4-11,19,22,24,28,37,39H,2-3,12-17H2,1H3/b11-6+/t22-,24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274256 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccsc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C28H32N2O4S/c1-29(23(32)7-4-18-9-13-35-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)34-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274255 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccs1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C28H32N2O4S/c1-29(23(32)9-7-19-3-2-14-35-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)34-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274175 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccccc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C30H34N2O4/c1-31(25(34)12-9-19-5-3-2-4-6-19)22-13-14-30(35)24-17-21-10-11-23(33)27-26(21)29(30,28(22)36-27)15-16-32(24)18-20-7-8-20/h2-6,9-12,20,22,24,28,33,35H,7-8,13-18H2,1H3/b12-9+/t22-,24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.166	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274214 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C30H33N3O6/c1-31(25(35)10-7-18-3-2-4-21(15-18)33(37)38)22-11-12-30(36)24-16-20-8-9-23(34)27-26(20)29(30,28(22)39-27)13-14-32(24)17-19-5-6-19/h2-4,7-10,15,19,22,24,28,34,36H,5-6,11-14,16-17H2,1H3/b10-7+/t22-,24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274212 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(C)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C31H36N2O4/c1-19-4-3-5-20(16-19)8-11-26(35)32(2)23-12-13-31(36)25-17-22-9-10-24(34)28-27(22)30(31,29(23)37-28)14-15-33(25)18-21-6-7-21/h3-5,8-11,16,21,23,25,29,34,36H,6-7,12-15,17-18H2,1-2H3/b11-8+/t23-,25-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274349 (CHEMBL491075 | N-[(5R,6S)-17-(Cyclopropylmethyl)-4...) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C29H32Cl2N2O4/c1-32(24(35)13-17-4-6-19(30)20(31)12-17)21-8-9-29(36)23-14-18-5-7-22(34)26-25(18)28(29,27(21)37-26)10-11-33(23)15-16-2-3-16/h4-7,12,16,21,23,27,34,36H,2-3,8-11,13-15H2,1H3/t21-,23+,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt 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
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490579 (CHEMBL2337154) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.402	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274348 ((2E)-N-[(5R,6S)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccccc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C30H34N2O4/c1-31(25(34)12-9-19-5-3-2-4-6-19)22-13-14-30(35)24-17-21-10-11-23(33)27-26(21)29(30,28(22)36-27)15-16-32(24)18-20-7-8-20/h2-6,9-12,20,22,24,28,33,35H,7-8,13-18H2,1H3/b12-9+/t22-,24+,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274017 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\C1CCCCC1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C30H40N2O4/c1-31(25(34)12-9-19-5-3-2-4-6-19)22-13-14-30(35)24-17-21-10-11-23(33)27-26(21)29(30,28(22)36-27)15-16-32(24)18-20-7-8-20/h9-12,19-20,22,24,28,33,35H,2-8,13-18H2,1H3/b12-9+/t22-,24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.457	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274177 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(c1)C(F)(F)F |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C31H33F3N2O4/c1-35(25(38)10-7-18-3-2-4-21(15-18)31(32,33)34)22-11-12-30(39)24-16-20-8-9-23(37)27-26(20)29(30,28(22)40-27)13-14-36(24)17-19-5-6-19/h2-4,7-10,15,19,22,24,28,37,39H,5-6,11-14,16-17H2,1H3/b10-7+/t22-,24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274257 ((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490580 (CHEMBL2337153) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.555	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274016 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CCC\C=C\C(=O)N(C)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.32.15:25.27.26,THB:13:12:16.32.15:25.27.26| Show InChI InChI=1S/C27H36N2O4/c1-3-4-5-6-22(31)28(2)19-11-12-27(32)21-15-18-9-10-20(30)24-23(18)26(27,25(19)33-24)13-14-29(21)16-17-7-8-17/h5-6,9-10,17,19,21,25,30,32H,3-4,7-8,11-16H2,1-2H3/b6-5+/t19-,21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.647	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274179 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES COc1cccc(\C=C\C(=O)N(C)[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:15:16:20.36.19:29.31.30,THB:17:16:20.36.19:29.31.30| Show InChI InChI=1S/C31H36N2O5/c1-32(26(35)11-8-19-4-3-5-22(16-19)37-2)23-12-13-31(36)25-17-21-9-10-24(34)28-27(21)30(31,29(23)38-28)14-15-33(25)18-20-6-7-20/h3-5,8-11,16,20,23,25,29,34,36H,6-7,12-15,17-18H2,1-2H3/b11-8+/t23-,25-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490579 (CHEMBL2337154) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274520 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccoc1 |r,TLB:21:22:4.18.5:13.7.12,THB:23:22:4.18.5:13.7.12| Show InChI InChI=1S/C27H30N2O5/c30-20-5-4-18-13-21-27(32)9-7-19(28-22(31)6-3-17-8-12-33-15-17)25-26(27,23(18)24(20)34-25)10-11-29(21)14-16-1-2-16/h3-6,8,12,15-16,19,21,25,30,32H,1-2,7,9-11,13-14H2,(H,28,31)/b6-3+/t19-,21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.869	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490580 (CHEMBL2337153) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274213 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(F)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C30H33FN2O4/c1-32(25(35)10-7-18-3-2-4-21(31)15-18)22-11-12-30(36)24-16-20-8-9-23(34)27-26(20)29(30,28(22)37-27)13-14-33(24)17-19-5-6-19/h2-4,7-10,15,19,22,24,28,34,36H,5-6,11-14,16-17H2,1H3/b10-7+/t22-,24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt 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
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274775 (CHEMBL457735 | N-hexyl-[(5R,6R)-17-(cyclopropylmet...) Show SMILES CCCCCCN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:9:10:14.30.13:23.25.24,THB:11:10:14.30.13:23.25.24| Show InChI InChI=1S/C26H38N2O3/c1-2-3-4-5-13-27-19-10-11-26(30)21-15-18-8-9-20(29)23-22(18)25(26,24(19)31-23)12-14-28(21)16-17-6-7-17/h8-9,17,19,21,24,27,29-30H,2-7,10-16H2,1H3/t19-,21-,24+,25+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.35	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490588 (CHEMBL2336728) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C71H109N13O13/c1-37(85)74-50-25-4-15-40(50)63(89)77-52-27-3-14-39(52)62(88)73-36-35-60(86)75-51-26-5-16-41(51)64(90)78-54-29-7-18-43(54)66(92)80-56-31-9-20-45(56)68(94)82-58-33-11-22-47(58)70(96)84-59-34-12-23-48(59)71(97)83-57-32-10-21-46(57)69(95)81-55-30-8-19-44(55)67(93)79-53-28-6-17-42(53)65(91)76-49-24-2-13-38(49)61(72)87/h38-59H,2-36H2,1H3,(H2,72,87)(H,73,88)(H,74,85)(H,75,86)(H,76,91)(H,77,89)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490580 (CHEMBL2337153) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of notch intracel...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362167 (CHEMBL1941129) Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362160 (CHEMBL1941121) Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1 Show InChI InChI=1S/C31H31NO6/c1-36-26-13-8-23(9-14-26)31(24-10-15-27(37-2)16-11-24)25-12-17-29(33)32(20-25)18-4-6-22-5-3-7-28(19-22)38-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362159 (CHEMBL1941120) Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1 Show InChI InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490588 (CHEMBL2336728) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C71H109N13O13/c1-37(85)74-50-25-4-15-40(50)63(89)77-52-27-3-14-39(52)62(88)73-36-35-60(86)75-51-26-5-16-41(51)64(90)78-54-29-7-18-43(54)66(92)80-56-31-9-20-45(56)68(94)82-58-33-11-22-47(58)70(96)84-59-34-12-23-48(59)71(97)83-57-32-10-21-46(57)69(95)81-55-30-8-19-44(55)67(93)79-53-28-6-17-42(53)65(91)76-49-24-2-13-38(49)61(72)87/h38-59H,2-36H2,1H3,(H2,72,87)(H,73,88)(H,74,85)(H,75,86)(H,76,91)(H,77,89)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490578 (CHEMBL2337566) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362158 (CHEMBL1941119) Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C29H25Cl2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362166 (CHEMBL1941128) Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490578 (CHEMBL2337566) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362157 (CHEMBL1941118) Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C29H25F2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362164 (CHEMBL1941126) Show SMILES OC(=O)CCCOc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C31H31NO4/c33-29-19-18-27(31(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-32(29)20-8-11-24-10-7-16-28(22-24)36-21-9-17-30(34)35/h1-7,10,12-16,18-19,22-23,31H,8-9,11,17,20-21H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362165 (CHEMBL1941127) Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274015 (CHEMBL459978 | N-[(5R,6R)-17-(Cyclopropylmethyl)-4...) Show SMILES CCCCCC(=O)N(C)C1CC[C@@]2(O)[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.33.15:26.28.27,THB:13:12:16.33.15:26.28.27| Show InChI InChI=1S/C28H40N2O4/c1-4-5-6-7-23(31)29(2)20-12-13-28(32)22-16-19-10-11-21(33-3)25-24(19)27(28,26(20)34-25)14-15-30(22)17-18-8-9-18/h10-11,18,20,22,26,32H,4-9,12-17H2,1-3H3/t20?,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274721 ((5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-6-hexylox...) Show SMILES CCCCCCO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:9:10:14.30.13:23.25.24,THB:11:10:14.30.13:23.25.24| Show InChI InChI=1S/C26H37NO4/c1-2-3-4-5-14-30-20-10-11-26(29)21-15-18-8-9-19(28)23-22(18)25(26,24(20)31-23)12-13-27(21)16-17-6-7-17/h8-9,17,20-21,24,28-29H,2-7,10-16H2,1H3/t20-,21-,24+,25+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274176 (CHEMBL523151 | N-[(5R,6R)-17-(Cyclopropylmethyl)-4...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C29H32Cl2N2O4/c1-32(24(35)13-17-4-6-19(30)20(31)12-17)21-8-9-29(36)23-14-18-5-7-22(34)26-25(18)28(29,27(21)37-26)10-11-33(23)15-16-2-3-16/h4-7,12,16,21,23,27,34,36H,2-3,8-11,13-15H2,1H3/t21-,23-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Cavia porcellus)	BDBM50362167 (CHEMBL1941129) Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362162 (CHEMBL1941123) Show SMILES CC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O Show InChI InChI=1S/C30H29NO4/c1-22(30(33)34)35-27-16-8-10-23(20-27)11-9-19-31-21-26(17-18-28(31)32)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-8,10,12-18,20-22,29H,9,11,19H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362156 (CHEMBL1941117) Show SMILES OC(=O)COc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C28H26N2O4/c31-26-17-16-25(28(22-11-3-1-4-12-22)23-13-5-2-6-14-23)29-30(26)18-8-10-21-9-7-15-24(19-21)34-20-27(32)33/h1-7,9,11-17,19,28H,8,10,18,20H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Cavia porcellus)	BDBM50362166 (CHEMBL1941128) Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490578 (CHEMBL2337566) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of notch intracel...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274774 (CHEMBL456659 | N-[(5R,6R)-17-(Cyclopropylmethyl)-4...) Show SMILES CCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:15.31.14:24.26.25,THB:12:11:15.31.14:24.26.25| Show InChI InChI=1S/C26H36N2O4/c1-2-3-4-5-21(30)27-18-10-11-26(31)20-14-17-8-9-19(29)23-22(17)25(26,24(18)32-23)12-13-28(20)15-16-6-7-16/h8-9,16,18,20,24,29,31H,2-7,10-15H2,1H3,(H,27,30)/t18-,20-,24+,25+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274482 ((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-1...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.24.8:17.19.18,THB:6:5:9.24.8:17.19.18| Show InChI InChI=1S/C28H32N2O4/c1-29(24(31)8-7-19-10-14-33-17-19)21-9-11-28(32)23-15-20-3-2-4-22-25(20)27(28,26(21)34-22)12-13-30(23)16-18-5-6-18/h2-4,7-8,10,14,17-18,21,23,26,32H,5-6,9,11-13,15-16H2,1H3/b8-7+/t21-,23-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.2	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50490579 (CHEMBL2337154) Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of notch intracel...				J Med Chem 56: 1443-54 (2013) Article DOI: 10.1021/jm301306c BindingDB Entry DOI: 10.7270/Q2251N3J
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362155 (CHEMBL1941116) Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C29H27NO4/c31-27-17-16-25(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)20-30(27)18-8-10-22-9-7-15-26(19-22)34-21-28(32)33/h1-7,9,11-17,19-20,29H,8,10,18,21H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair

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