Compile Data Set for Download or QSAR

Found 672 hits with Last Name = 'baettig' and Initial = 'u'   

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
Prothrombin (Homo sapiens (Human))	BDBM50090249 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C24H39FN6O3S/c1-24(2)15-18-5-3-7-20(21(18)29-16-24)35(33,34)30-19(6-4-12-28-23(26)27)22(32)31-13-9-17(8-11-25)10-14-31/h3,5,7,17,19,29-30H,4,6,8-16H2,1-2H3,(H4,26,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213911 (2-(2-cyclohexyl-4-(trifluoromethyl)phenoxy)acetic ...) Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)C(F)(F)F Show InChI InChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090222 (CHEMBL39086 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C28H35FN4O3S2/c1-28(2)17-20-6-5-9-24(26(20)30-18-28)38(35,36)32-22(16-25-31-21-7-3-4-8-23(21)37-25)27(34)33-14-11-19(10-13-29)12-15-33/h3-9,19,22,30,32H,10-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090222 (CHEMBL39086 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C28H35FN4O3S2/c1-28(2)17-20-6-5-9-24(26(20)30-18-28)38(35,36)32-22(16-25-31-21-7-3-4-8-23(21)37-25)27(34)33-14-11-19(10-13-29)12-15-33/h3-9,19,22,30,32H,10-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213912 ((S)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...) Show SMILES C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213922 (2-(4-bromo-2-cyclohexylphenoxy)acetic acid | CHEMB...) Show SMILES OC(=O)COc1ccc(Br)cc1C1CCCCC1 Show InChI InChI=1S/C14H17BrO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213908 (2-(4-chloro-2-(1-methylcyclohexyl)phenoxy)acetic a...) Show SMILES CC1(CCCCC1)c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C15H19ClO3/c1-15(7-3-2-4-8-15)12-9-11(16)5-6-13(12)19-10-14(17)18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213907 ((3-cyclohexyl-4'-fluoro-biphenyl-4-yloxy)-acetic a...) Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	99	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090226 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C27H34N4O4S2/c1-18-15-20-5-4-8-24(26(20)28-17-18)37(34,35)30-22(16-25-29-21-6-2-3-7-23(21)36-25)27(33)31-12-9-19(10-13-31)11-14-32/h2-8,18-19,22,28,30,32H,9-17H2,1H3/t18?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090226 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C27H34N4O4S2/c1-18-15-20-5-4-8-24(26(20)28-17-18)37(34,35)30-22(16-25-29-21-6-2-3-7-23(21)36-25)27(33)31-12-9-19(10-13-31)11-14-32/h2-8,18-19,22,28,30,32H,9-17H2,1H3/t18?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50366643 (CHEMBL1907778) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCF)CC1 |r| Show InChI InChI=1S/C24H39FN4O3S2/c1-24(2)15-19-5-3-6-21(22(19)27-17-24)34(31,32)28-20(16-33-14-4-11-26)23(30)29-12-8-18(7-10-25)9-13-29/h3,5-6,18,20,27-28H,4,7-17,26H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213917 (2-(4-chloro-2-cyclopentylphenoxy)acetic acid | CHE...) Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCC1 Show InChI InChI=1S/C13H15ClO3/c14-10-5-6-12(17-8-13(15)16)11(7-10)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213909 (2-(4-chloro-2-cyclohexylphenoxy)acetic acid | CHEM...) Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCC1 Show InChI InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	154	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213915 (2-(4-cyano-2-cyclohexylphenoxy)acetic acid | CHEMB...) Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)C#N Show InChI InChI=1S/C15H17NO3/c16-9-11-6-7-14(19-10-15(17)18)13(8-11)12-4-2-1-3-5-12/h6-8,12H,1-5,10H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090231 (CHEMBL39375 | MD805 Analogue) Show SMILES CCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C28H36N4O3S2/c1-4-19-12-14-32(15-13-19)27(33)22(16-25-30-21-9-5-6-10-23(21)36-25)31-37(34,35)24-11-7-8-20-17-28(2,3)18-29-26(20)24/h5-11,19,22,29,31H,4,12-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50366642 (CHEMBL1907779) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCO)CC1 |r| Show InChI InChI=1S/C24H40N4O4S2/c1-24(2)15-19-5-3-6-21(22(19)26-17-24)34(31,32)27-20(16-33-14-4-10-25)23(30)28-11-7-18(8-12-28)9-13-29/h3,5-6,18,20,26-27,29H,4,7-17,25H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213918 (2-(2-cyclohexylphenoxy)acetic acid | CHEMBL247739) Show SMILES OC(=O)COc1ccccc1C1CCCCC1 Show InChI InChI=1S/C14H18O3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	311	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213926 (2-(2-cyclohexyl-4-methylphenoxy)acetic acid | CHEM...) Show SMILES Cc1ccc(OCC(O)=O)c(c1)C1CCCCC1 Show InChI InChI=1S/C15H20O3/c1-11-7-8-14(18-10-15(16)17)13(9-11)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	353	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213913 (2-(2-cyclohexyl-4-fluorophenoxy)acetic acid | CHEM...) Show SMILES OC(=O)COc1ccc(F)cc1C1CCCCC1 Show InChI InChI=1S/C14H17FO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	446	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090236 (CHEMBL418248 | MD805 Analogue) Show SMILES CC(=O)OCCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2[nH]1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C30H39N5O5S/c1-20(36)40-16-13-21-11-14-35(15-12-21)29(37)25(17-27-32-23-8-4-5-9-24(23)33-27)34-41(38,39)26-10-6-7-22-18-30(2,3)19-31-28(22)26/h4-10,21,25,31,34H,11-19H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	452	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090235 (CHEMBL38907 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc(CN)cs1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C25H37N5O4S2/c1-25(2)13-18-4-3-5-21(23(18)27-16-25)36(33,34)29-20(12-22-28-19(14-26)15-35-22)24(32)30-9-6-17(7-10-30)8-11-31/h3-5,15,17,20,27,29,31H,6-14,16,26H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090237 (CHEMBL43074 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C28H36N4O4S2/c1-28(2)17-20-6-5-9-24(26(20)29-18-28)38(35,36)31-22(16-25-30-21-7-3-4-8-23(21)37-25)27(34)32-13-10-19(11-14-32)12-15-33/h3-9,19,22,29,31,33H,10-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213921 (2-(2-cyclohexyl-4-methoxyphenoxy)acetic acid | CHE...) Show SMILES COc1ccc(OCC(O)=O)c(c1)C1CCCCC1 Show InChI InChI=1S/C15H20O4/c1-18-12-7-8-14(19-10-15(16)17)13(9-12)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	782	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213910 (3-(4-chloro-2-cyclohexylphenoxy)propanoic acid | C...) Show SMILES OC(=O)CCOc1ccc(Cl)cc1C1CCCCC1 Show InChI InChI=1S/C15H19ClO3/c16-12-6-7-14(19-9-8-15(17)18)13(10-12)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	799	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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090220 (CHEMBL289623 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccncc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C27H34FN5O3S2/c1-27(2)15-19-4-3-5-23(25(19)30-17-27)38(35,36)32-21(14-24-31-20-7-11-29-16-22(20)37-24)26(34)33-12-8-18(6-10-28)9-13-33/h3-5,7,11,16,18,21,30,32H,6,8-10,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50213908 (2-(4-chloro-2-(1-methylcyclohexyl)phenoxy)acetic a...) Show SMILES CC1(CCCCC1)c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C15H19ClO3/c1-15(7-3-2-4-8-15)12-9-11(16)5-6-13(12)19-10-14(17)18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+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 Binding affinity at prostanoid DP receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50366643 (CHEMBL1907778) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCF)CC1 |r| Show InChI InChI=1S/C24H39FN4O3S2/c1-24(2)15-19-5-3-6-21(22(19)27-17-24)34(31,32)28-20(16-33-14-4-11-26)23(30)29-12-8-18(7-10-25)9-13-29/h3,5-6,18,20,27-28H,4,7-17,26H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Trypsin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090234 (CHEMBL40904 | MD805 Analogue) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C28H36N4O4S/c1-19-15-21-5-4-8-26(27(21)30-17-19)37(35,36)31-25(16-22-18-29-24-7-3-2-6-23(22)24)28(34)32-12-9-20(10-13-32)11-14-33/h2-8,18-20,25,29-31,33H,9-17H2,1H3/t19?,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50366642 (CHEMBL1907779) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCO)CC1 |r| Show InChI InChI=1S/C24H40N4O4S2/c1-24(2)15-19-5-3-6-21(22(19)26-17-24)34(31,32)27-20(16-33-14-4-10-25)23(30)28-11-7-18(8-12-28)9-13-29/h3,5-6,18,20,26-27,29H,4,7-17,25H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Trypsin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88E+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 Binding affinity at prostanoid DP receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213928 (4-(4-chloro-2-cyclohexylphenoxy)butanoic acid | CH...) Show SMILES OC(=O)CCCOc1ccc(Cl)cc1C1CCCCC1 Show InChI InChI=1S/C16H21ClO3/c17-13-8-9-15(20-10-4-7-16(18)19)14(11-13)12-5-2-1-3-6-12/h8-9,11-12H,1-7,10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.99E+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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090230 (CHEMBL38617 | MD805 Analogue) Show SMILES Cc1csc(CC(NS(=O)(=O)c2cccc3CC(C)(C)CNc23)C(=O)N2CCC(CCO)CC2)n1 Show InChI InChI=1S/C25H36N4O4S2/c1-17-15-34-22(27-17)13-20(24(31)29-10-7-18(8-11-29)9-12-30)28-35(32,33)21-6-4-5-19-14-25(2,3)16-26-23(19)21/h4-6,15,18,20,26,28,30H,7-14,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213920 ((R)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...) Show SMILES C[C@@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50213909 (2-(4-chloro-2-cyclohexylphenoxy)acetic acid | CHEM...) Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCC1 Show InChI InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 Binding affinity at prostanoid EP2 receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090224 (CHEMBL289493 | MD805 Analogue) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2o1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C27H34N4O5S/c1-18-15-20-5-4-8-24(26(20)28-17-18)37(34,35)30-22(16-25-29-21-6-2-3-7-23(21)36-25)27(33)31-12-9-19(10-13-31)11-14-32/h2-8,18-19,22,28,30,32H,9-17H2,1H3/t18?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090227 (CHEMBL288938 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc(cs1)-c1ccccc1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C30H38N4O4S2/c1-30(2)18-23-9-6-10-26(28(23)31-20-30)40(37,38)33-24(29(36)34-14-11-21(12-15-34)13-16-35)17-27-32-25(19-39-27)22-7-4-3-5-8-22/h3-10,19,21,24,31,33,35H,11-18,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213924 (CHEMBL247131 | methyl 2-(4-chloro-2-cyclohexylphen...) Show SMILES COC(=O)COc1ccc(Cl)cc1C1CCCCC1 Show InChI InChI=1S/C15H19ClO3/c1-18-15(17)10-19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.28E+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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50366643 (CHEMBL1907778) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCF)CC1 |r| Show InChI InChI=1S/C24H39FN4O3S2/c1-24(2)15-19-5-3-6-21(22(19)27-17-24)34(31,32)28-20(16-33-14-4-11-26)23(30)29-12-8-18(7-10-25)9-13-29/h3,5-6,18,20,27-28H,4,7-17,26H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against plasmin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50213912 ((S)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...) Show SMILES C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.49E+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 Binding affinity at prostanoid DP receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090228 (CHEMBL289628 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2cncnc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C26H33FN6O3S2/c1-26(2)13-18-4-3-5-21(23(18)29-15-26)38(35,36)32-19(12-22-31-20-14-28-16-30-24(20)37-22)25(34)33-10-7-17(6-9-27)8-11-33/h3-5,14,16-17,19,29,32H,6-13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50213925 (2-(2-allyl-4-chlorophenoxy)acetic acid | CHEMBL245...) Show SMILES OC(=O)COc1ccc(Cl)cc1CC=C Show InChI InChI=1S/C11H11ClO3/c1-2-3-8-6-9(12)4-5-10(8)15-7-11(13)14/h2,4-6H,1,3,7H2,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.74E+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 Binding affinity at prostanoid DP receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50213917 (2-(4-chloro-2-cyclopentylphenoxy)acetic acid | CHE...) Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCC1 Show InChI InChI=1S/C13H15ClO3/c14-10-5-6-12(17-8-13(15)16)11(7-10)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+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 Binding affinity at prostanoid DP receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50090231 (CHEMBL39375 | MD805 Analogue) Show SMILES CCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C28H36N4O3S2/c1-4-19-12-14-32(15-13-19)27(33)22(16-25-30-21-9-5-6-10-23(21)36-25)31-37(34,35)24-11-7-8-20-17-28(2,3)18-29-26(20)24/h5-11,19,22,29,31H,4,12-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Serine protease chymotrypsin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50213925 (2-(2-allyl-4-chlorophenoxy)acetic acid | CHEMBL245...) Show SMILES OC(=O)COc1ccc(Cl)cc1CC=C Show InChI InChI=1S/C11H11ClO3/c1-2-3-8-6-9(12)4-5-10(8)15-7-11(13)14/h2,4-6H,1,3,7H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.13E+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]PG2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50213922 (2-(4-bromo-2-cyclohexylphenoxy)acetic acid | CHEMB...) Show SMILES OC(=O)COc1ccc(Br)cc1C1CCCCC1 Show InChI InChI=1S/C14H17BrO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+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 Binding affinity at prostanoid DP receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50366642 (CHEMBL1907779) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCO)CC1 |r| Show InChI InChI=1S/C24H40N4O4S2/c1-24(2)15-19-5-3-6-21(22(19)26-17-24)34(31,32)27-20(16-33-14-4-10-25)23(30)28-11-7-18(8-12-28)9-13-29/h3,5-6,18,20,26-27,29H,4,7-17,25H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against plasmin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50213907 ((3-cyclohexyl-4'-fluoro-biphenyl-4-yloxy)-acetic a...) Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.40E+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 Binding affinity at prostanoid DP receptor				Bioorg Med Chem Lett 17: 4347-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.019 BindingDB Entry DOI: 10.7270/Q2N58M2M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090225 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H35N3O4S/c1-19-16-22-8-5-9-24(25(22)27-18-19)34(32,33)28-23(17-21-6-3-2-4-7-21)26(31)29-13-10-20(11-14-29)12-15-30/h2-9,19-20,23,27-28,30H,10-18H2,1H3/t19?,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50090226 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C27H34N4O4S2/c1-18-15-20-5-4-8-24(26(20)28-17-18)37(34,35)30-22(16-25-29-21-6-2-3-7-23(21)36-25)27(33)31-12-9-19(10-13-31)11-14-32/h2-8,18-19,22,28,30,32H,9-17H2,1H3/t18?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Serine protease chymotrypsin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair

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