Compile Data Set for Download or QSAR

Found 7264 hits with Last Name = 'jung' and Initial = 'j'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483880 (CHEMBL1774642) Show SMILES CNc1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483881 (CHEMBL1774643) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C15H13FN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50555050 (CHEMBL4764575) Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50555052 (CHEMBL4751015) Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(O)=O)cc2)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50555051 (CHEMBL4739996) Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM388463 ((1aS,5aS)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...) Show SMILES CNC(=O)[C@@H](NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1c[n+]([O-])ccn1)C(C)(C)C Show InChI InChI=1S/C19H24N6O3/c1-19(2,3)16(18(27)20-4)22-17(26)14-12-8-10-7-11(10)15(12)25(23-14)13-9-24(28)6-5-21-13/h5-6,9-11,16H,7-8H2,1-4H3,(H,20,27)(H,22,26)/t10-,11-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000×g for 2...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q2B56N3X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM532446 ((1aS,5aS)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...) Show SMILES CC(C)(C)[C@H](CC(N)=O)NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1c[n+]([O-])ccn1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table D: Radioligand binding assays for human CB2 receptors were performed using two different agonist radioligands, [3H]CP55,940 and [3H]WIN55,212-2...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8WC1
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50206002 ((R)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...) Show SMILES COc1ccc(cc1OC)C1=NO[C@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11| Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungshin Women's University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells				Eur J Med Chem 42: 1044-8 (2007) Article DOI: 10.1016/j.ejmech.2006.12.030 BindingDB Entry DOI: 10.7270/Q2JD4WG8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50206004 ((R)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...) Show SMILES CCOc1ccccc1N1CCN(CCC[C@@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19| Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungshin Women's University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells				Eur J Med Chem 42: 1044-8 (2007) Article DOI: 10.1016/j.ejmech.2006.12.030 BindingDB Entry DOI: 10.7270/Q2JD4WG8
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458670 (CHEMBL4212838) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26ClF3N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458673 (CHEMBL4207731) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)OCC(O)=O |r| Show InChI InChI=1S/C25H23F3N2O6/c26-25(27,28)36-16-9-5-14(6-10-16)23(33)30-19-4-2-1-3-17(19)22(18-11-12-20(18)30)29(15-7-8-15)24(34)35-13-21(31)32/h1-6,9-10,15,18,20,22H,7-8,11-13H2,(H,31,32)/t18-,20+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458666 (CHEMBL4204359) Show SMILES OC(=O)CCC(=O)N(C1CC1)C1C2CCCC2N(C(=O)OCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H30N2O5/c30-24(15-16-25(31)32)28(19-13-14-19)26-20-9-4-5-11-22(20)29(23-12-6-10-21(23)26)27(33)34-17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21,23,26H,6,10,12-17H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458667 (CHEMBL4207935) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungshin Women's University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells				Eur J Med Chem 42: 1044-8 (2007) Article DOI: 10.1016/j.ejmech.2006.12.030 BindingDB Entry DOI: 10.7270/Q2JD4WG8
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458672 (CHEMBL4203572) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)c(F)cc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H25ClF4N2O5/c28-19-13-22-18(12-20(19)29)25(33(15-6-7-15)23(35)10-11-24(36)37)17-2-1-3-21(17)34(22)26(38)14-4-8-16(9-5-14)39-27(30,31)32/h4-5,8-9,12-13,15,17,21,25H,1-3,6-7,10-11H2,(H,36,37)/t17-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458652 (CHEMBL4202859) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)OCC(O)=O |r| Show InChI InChI=1S/C24H23FN2O5/c25-15-7-5-14(6-8-15)23(30)27-19-4-2-1-3-17(19)22(18-11-12-20(18)27)26(16-9-10-16)24(31)32-13-21(28)29/h1-8,16,18,20,22H,9-13H2,(H,28,29)/t18-,20+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM532448 ((1aR,5aR)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...) Show SMILES CC(C)(C)[C@@H](NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1c[n+]([O-])ccn1)OCC(N)=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table D: Radioligand binding assays for human CB2 receptors were performed using two different agonist radioligands, [3H]CP55,940 and [3H]WIN55,212-2...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8WC1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM388466 ((1aR,5aR)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...) Show SMILES CONC(=O)[C@@H](NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1c[n+]([O-])ccn1)C(C)(C)C Show InChI InChI=1S/C19H24N6O4/c1-19(2,3)16(18(27)23-29-4)21-17(26)14-12-8-10-7-11(10)15(12)25(22-14)13-9-24(28)6-5-20-13/h5-6,9-11,16H,7-8H2,1-4H3,(H,21,26)(H,23,27)/t10-,11-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000×g for 2...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q2B56N3X
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458681 (CHEMBL4215576) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C26H25F3N2O5/c27-26(28,29)36-17-9-5-15(6-10-17)25(35)31-20-4-2-1-3-18(20)24(19-11-12-21(19)31)30(16-7-8-16)22(32)13-14-23(33)34/h1-6,9-10,16,19,21,24H,7-8,11-14H2,(H,33,34)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458677 (CHEMBL4212084) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1cccc(F)c1)c1ccccc1[C@@H]2N(C1CC1)C(=O)OCC(O)=O |r| Show InChI InChI=1S/C24H23FN2O5/c25-15-5-3-4-14(12-15)23(30)27-19-7-2-1-6-17(19)22(18-10-11-20(18)27)26(16-8-9-16)24(31)32-13-21(28)29/h1-7,12,16,18,20,22H,8-11,13H2,(H,28,29)/t18-,20+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458663 (CHEMBL4208457) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-22-20(14-16)25(32(17-7-8-17)23(34)12-13-24(35)36)19-2-1-3-21(19)33(22)26(37)15-4-9-18(10-5-15)38-27(29,30)31/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458669 (CHEMBL4215049) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C26H25F3N2O5/c27-26(28,29)36-17-5-3-4-15(14-17)25(35)31-20-7-2-1-6-18(20)24(19-10-11-21(19)31)30(16-8-9-16)22(32)12-13-23(33)34/h1-7,14,16,19,21,24H,8-13H2,(H,33,34)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50206003 ((S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...) Show SMILES CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19| Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungshin Women's University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells				Eur J Med Chem 42: 1044-8 (2007) Article DOI: 10.1016/j.ejmech.2006.12.030 BindingDB Entry DOI: 10.7270/Q2JD4WG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483880 (CHEMBL1774642) Show SMILES CNc1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50555050 (CHEMBL4764575) Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483881 (CHEMBL1774643) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C15H13FN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458688 (CHEMBL4213245) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)O[C@@H](C)c1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C28H31FN2O5/c1-17(18-9-11-19(29)12-10-18)36-28(35)31-23-7-3-2-5-21(23)27(22-6-4-8-24(22)31)30(20-13-14-20)25(32)15-16-26(33)34/h2-3,5,7,9-12,17,20,22,24,27H,4,6,8,13-16H2,1H3,(H,33,34)/t17-,22+,24-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungshin Women's University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells				Eur J Med Chem 42: 1044-8 (2007) Article DOI: 10.1016/j.ejmech.2006.12.030 BindingDB Entry DOI: 10.7270/Q2JD4WG8
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458683 (CHEMBL4203786) Show SMILES [H][C@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H27F3N2O5/c28-27(29,30)37-18-12-8-16(9-13-18)26(36)32-21-6-2-1-4-19(21)25(20-5-3-7-22(20)32)31(17-10-11-17)23(33)14-15-24(34)35/h1-2,4,6,8-9,12-13,17,20,22,25H,3,5,7,10-11,14-15H2,(H,34,35)/t20-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458671 (CHEMBL4210620) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C25H25FN2O4/c26-16-7-5-15(6-8-16)25(32)28-20-4-2-1-3-18(20)24(19-11-12-21(19)28)27(17-9-10-17)22(29)13-14-23(30)31/h1-8,17,19,21,24H,9-14H2,(H,30,31)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50555048 (CHEMBL4793938) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCNC(=O)c1ccc(NN)nc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458659 (CHEMBL4203383) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1cccc(F)c1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C25H25FN2O4/c26-16-5-3-4-15(14-16)25(32)28-20-7-2-1-6-18(20)24(19-10-11-21(19)28)27(17-8-9-17)22(29)12-13-23(30)31/h1-7,14,17,19,21,24H,8-13H2,(H,30,31)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458690 (CHEMBL4205047) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(F)cc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O4S/c28-16-6-11-22-20(14-16)25(32(17-7-8-17)23(34)12-13-24(35)36)19-2-1-3-21(19)33(22)26(37)15-4-9-18(10-5-15)38-27(29,30)31/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458684 (CHEMBL4203284) Show SMILES [H][C@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C1CCC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C28H29F3N2O5/c29-28(30,31)38-19-13-11-17(12-14-19)27(37)33-22-9-2-1-7-20(22)26(21-8-4-10-23(21)33)32(18-5-3-6-18)24(34)15-16-25(35)36/h1-2,7,9,11-14,18,21,23,26H,3-6,8,10,15-16H2,(H,35,36)/t21-,23-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50555047 (CHEMBL4794902) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(OCCNC(=O)c2ccc(NN)nc2)cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458674 (CHEMBL4212522) Show SMILES [H][C@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(CC1CCC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C29H31F3N2O5/c30-29(31,32)39-20-13-11-19(12-14-20)28(38)34-23-9-2-1-7-21(23)27(22-8-4-10-24(22)34)33(17-18-5-3-6-18)25(35)15-16-26(36)37/h1-2,7,9,11-14,18,22,24,27H,3-6,8,10,15-17H2,(H,36,37)/t22-,24-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458680 (CHEMBL4205802) Show SMILES OC(=O)COC(=O)N(C1CC1)C1C2CCCC2N(C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H26N2O5/c28-22(29)15-32-25(31)26(17-13-14-17)23-18-9-4-5-11-20(18)27(21-12-6-10-19(21)23)24(30)16-7-2-1-3-8-16/h1-5,7-9,11,17,19,21,23H,6,10,12-15H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458668 (CHEMBL4217503) Show SMILES OC(=O)CCC(=O)N(C1CC1)C1C2CCCC2N(C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H28N2O4/c29-23(15-16-24(30)31)27(18-13-14-18)25-19-9-4-5-11-21(19)28(22-12-6-10-20(22)25)26(32)17-7-2-1-3-8-17/h1-5,7-9,11,18,20,22,25H,6,10,12-16H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Mus musculus (Mouse))	BDBM50506039 (CHEMBL1324296 | US11891386, Compound 002) Show SMILES COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00208 BindingDB Entry DOI: 10.7270/Q27D3076
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50555049 (CHEMBL4747528) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458675 (CHEMBL4207202) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)OCc1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H29FN2O5/c28-18-10-8-17(9-11-18)16-35-27(34)30-22-6-2-1-4-20(22)26(21-5-3-7-23(21)30)29(19-12-13-19)24(31)14-15-25(32)33/h1-2,4,6,8-11,19,21,23,26H,3,5,7,12-16H2,(H,32,33)/t21-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458657 (CHEMBL4216012) Show SMILES [H][C@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(CC)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C26H27F3N2O5/c1-2-30(22(32)14-15-23(33)34)24-18-6-3-4-8-20(18)31(21-9-5-7-19(21)24)25(35)16-10-12-17(13-11-16)36-26(27,28)29/h3-4,6,8,10-13,19,21,24H,2,5,7,9,14-15H2,1H3,(H,33,34)/t19-,21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458687 (CHEMBL4208314) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)O[C@H](C)c1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C28H31FN2O5/c1-17(18-9-11-19(29)12-10-18)36-28(35)31-23-7-3-2-5-21(23)27(22-6-4-8-24(22)31)30(20-13-14-20)25(32)15-16-26(33)34/h2-3,5,7,9-12,17,20,22,24,27H,4,6,8,13-16H2,1H3,(H,33,34)/t17-,22-,24+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458664 (CHEMBL4216735) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(cc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O)C(F)F |r| Show InChI InChI=1S/C28H27F5N2O5/c29-26(30)16-6-11-22-20(14-16)25(34(17-7-8-17)23(36)12-13-24(37)38)19-2-1-3-21(19)35(22)27(39)15-4-9-18(10-5-15)40-28(31,32)33/h4-6,9-11,14,17,19,21,25-26H,1-3,7-8,12-13H2,(H,37,38)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50555050 (CHEMBL4764575) Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50555051 (CHEMBL4739996) Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458682 (CHEMBL4211054) Show SMILES [H][C@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C25H25F3N2O5/c1-29(21(31)13-14-22(32)33)23-17-5-2-3-7-19(17)30(20-8-4-6-18(20)23)24(34)15-9-11-16(12-10-15)35-25(26,27)28/h2-3,5,7,9-12,18,20,23H,4,6,8,13-14H2,1H3,(H,32,33)/t18-,20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50555050 (CHEMBL4764575) Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair

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