Compile Data Set for Download or QSAR

Found 446 hits with Last Name = 'bala' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase A (Mus musculus (mouse))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Mus musculus (mouse))	BDBM50442299 (CHEMBL2442750) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from mouse CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Mus musculus (mouse))	BDBM50296848 (2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from mouse CRTh2 receptor expressed in K562 cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296848 (2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296848 (2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296849 (2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N Show InChI InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442299 (CHEMBL2442750) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296850 (2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N Show InChI InChI=1S/C17H12FN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296847 (2-(1-(4-cyano-3-ethoxyphenylsulfonyl)-2-methyl-1H-...) Show SMILES CCOc1cc(ccc1C#N)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12 Show InChI InChI=1S/C19H17N3O5S/c1-3-27-17-9-14(7-6-13(17)11-20)28(25,26)22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296859 (2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O6S/c1-10-14(9-15(20)21)13-3-2-8-17-16(13)18(10)26(24,25)12-6-4-11(5-7-12)19(22)23/h2-8H,9H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296857 (2-(1-(3,4-dichlorophenylsulfonyl)-2-methyl-1H-pyrr...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H12Cl2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296846 (2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...) Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12 Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213919 (2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...) Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1 Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161746 ((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...) Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296851 (2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296851 (2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442309 (CHEMBL2442743) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c1-10-13(8-16(22)23)12-3-2-6-20-17(12)21(10)9-11-4-5-14(18)15(19)7-11/h2-7H,8-9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442310 (CHEMBL2442742) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O2/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442300 (CHEMBL2442751) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H15N3O4/c1-11-15(9-16(21)22)14-3-2-8-18-17(14)19(11)10-12-4-6-13(7-5-12)20(23)24/h2-8H,9-10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442302 (CHEMBL2442736) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2/c1-11-15(9-16(21)22)14-3-2-8-19-17(14)20(11)10-12-4-6-13(18)7-5-12/h2-8H,9-10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296845 (2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442303 (CHEMBL2442752) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O4S/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)28(26,27)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442301 (CHEMBL2442748) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)=O Show InChI InChI=1S/C18H18N2O3S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)24(2)23/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442315 (CHEMBL2442737) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1cccc(Cl)c1 Show InChI InChI=1S/C17H15ClN2O2/c1-11-15(9-16(21)22)14-6-3-7-19-17(14)20(11)10-12-4-2-5-13(18)8-12/h2-8H,9-10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442308 (CHEMBL2442744) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(F)c(F)c1 Show InChI InChI=1S/C17H14F2N2O2/c1-10-13(8-16(22)23)12-3-2-6-20-17(12)21(10)9-11-4-5-14(18)15(19)7-11/h2-7H,8-9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	278	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296854 (2-(2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]py...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c1-11-14(10-15(19)20)13-8-5-9-17-16(13)18(11)23(21,22)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442311 (CHEMBL2442741) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(C)cc1 Show InChI InChI=1S/C18H18N2O2/c1-12-5-7-14(8-6-12)11-20-13(2)16(10-17(21)22)15-4-3-9-19-18(15)20/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296852 (2-(1-(3-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-6-3-7-18-16(13)19(10)24(22,23)12-5-2-4-11(17)8-12/h2-8H,9H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	377	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442304 (CHEMBL2442749) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)C#N Show InChI InChI=1S/C18H15N3O2/c1-12-16(9-17(22)23)15-3-2-8-20-18(15)21(12)11-14-6-4-13(10-19)5-7-14/h2-8H,9,11H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	379	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442312 (CHEMBL2442740) Show SMILES COc1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1 Show InChI InChI=1S/C18H18N2O3/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	504	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442313 (CHEMBL2442739) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccccc1 Show InChI InChI=1S/C17H16N2O2/c1-12-15(10-16(20)21)14-8-5-9-18-17(14)19(12)11-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	588	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296856 (2-(2-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H16N2O4S/c1-11-5-7-13(8-6-11)24(22,23)19-12(2)15(10-16(20)21)14-4-3-9-18-17(14)19/h3-9H,10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	619	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442314 (CHEMBL2442738) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccccc1Cl Show InChI InChI=1S/C17H15ClN2O2/c1-11-14(9-16(21)22)13-6-4-8-19-17(13)20(11)10-12-5-2-3-7-15(12)18/h2-8H,9-10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	624	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442307 (CHEMBL2442745) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1cccnc1 Show InChI InChI=1S/C16H15N3O2/c1-11-14(8-15(20)21)13-5-3-7-18-16(13)19(11)10-12-4-2-6-17-9-12/h2-7,9H,8,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296858 (2-(1-(4-chloro-3-(trifluoromethyl)phenylsulfonyl)-...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O4S/c1-9-12(8-15(24)25)11-3-2-6-22-16(11)23(9)28(26,27)10-4-5-14(18)13(7-10)17(19,20)21/h2-7H,8H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442306 (CHEMBL2442746) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccncc1 Show InChI InChI=1S/C16H15N3O2/c1-11-14(9-15(20)21)13-3-2-6-18-16(13)19(11)10-12-4-7-17-8-5-12/h2-8H,9-10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296855 (2-(1-(4-methoxyphenylsulfonyl)-2-methyl-1H-pyrrolo...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12 Show InChI InChI=1S/C17H16N2O5S/c1-11-15(10-16(20)21)14-4-3-9-18-17(14)19(11)25(22,23)13-7-5-12(24-2)6-8-13/h3-9H,10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442305 (CHEMBL2442747) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccccn1 Show InChI InChI=1S/C16H15N3O2/c1-11-14(9-15(20)21)13-6-4-8-18-16(13)19(11)10-12-5-2-3-7-17-12/h2-8H,9-10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296853 (2-(1-(2-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C16H13ClN2O4S/c1-10-12(9-15(20)21)11-5-4-8-18-16(11)19(10)24(22,23)14-7-3-2-6-13(14)17/h2-8H,9H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50296851 (2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Binding affinity to human thromboxane A2 receptor				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50296851 (2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Binding affinity to human prostaglandin D2 receptor				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239101 (US10195181, Example 2.2 | US9403810, 2.2) Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239101 (US10195181, Example 2.2 | US9403810, 2.2) Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239132 (US9403810, 22c) Show SMILES C[C@@H]1CC[C@H](OC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239117 (US10195181, Example 22c | US9403810, 22) Show SMILES CC1CCC(OC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239094 (US10195181, Example 1.3 | US9403810, 1.3) Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:5| Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239094 (US10195181, Example 1.3 | US9403810, 1.3) Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:5| Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239092 (US10195181, Example 1.1 | US9403810, 1.1) Show SMILES CCC1CC(C)CC=C1c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:7| Show InChI InChI=1S/C25H36N4O3/c1-6-18-14-15(2)12-13-20(18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)19-10-8-7-9-11-19/h13,15,18-19H,6-12,14H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair

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