Compile Data Set for Download or QSAR

Found 434 hits with Last Name = 'priepke' and Initial = 'h'   

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))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory constant (Ki) was determined against human thrombin				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	15	-46.5	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-45.7	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	40	-43.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	50.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory constant (Ki) was determined against human trypsin				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	57	-43.0	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1 (Bos taurus (bovine))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	67	-42.6	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1 (Bos taurus (bovine))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	102	-41.5	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	110	-41.3	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	140	-40.7	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	780	-36.3	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasminogen (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory constant (Ki) was determined against human plasmin				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory constant (Ki) was determined against human Coagulation factor Xa (fXa)				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.10E+3	-32.0	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.50E+3	-30.8	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	6.80E+3	-30.7	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.20E+3	-30.2	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	9.00E+3	-30.0	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	9.20E+3	-29.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	-29.0	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.60E+4	-28.5	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory constant (Ki) was determined against human Activated protein C				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	>-26.1	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	>-26.1	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	>4.00E+4	>-26.1	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	4.40E+4	-25.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory constant (Ki) was determined against human Tissue plasminogen activator (tissue plasminogen activator)				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM17295 (BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...) Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	>5.00E+4	>-25.5	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>5.00E+4	>-25.5	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124280 (US8759537, 17) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(F)cc12 Show InChI InChI=1S/C27H24Cl3F2N5O2/c1-27(2,3)25(39)33-12-13-5-7-16(28)23(22(13)30)36-26-35-20-10-15(19(32)11-21(20)37(26)4)24(38)34-14-6-8-18(31)17(29)9-14/h5-11H,12H2,1-4H3,(H,33,39)(H,34,38)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124281 (US8759537, 18) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3)c(F)cc12 Show InChI InChI=1S/C27H25Cl3FN5O2/c1-27(2,3)25(38)32-13-14-8-9-18(29)23(22(14)30)35-26-34-20-11-17(19(31)12-21(20)36(26)4)24(37)33-16-7-5-6-15(28)10-16/h5-12H,13H2,1-4H3,(H,32,38)(H,33,37)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124282 (US8759537, 19) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(F)cc12 Show InChI InChI=1S/C27H24Cl3F2N5O2/c1-27(2,3)25(39)33-12-13-5-7-17(29)23(22(13)30)36-26-35-20-10-15(18(31)11-21(20)37(26)4)24(38)34-14-6-8-16(28)19(32)9-14/h5-11H,12H2,1-4H3,(H,33,39)(H,34,38)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124286 (US8759537, 23) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(F)cc(Cl)c3)c(F)cc12 Show InChI InChI=1S/C27H24Cl3F2N5O2/c1-27(2,3)25(39)33-12-13-5-6-18(29)23(22(13)30)36-26-35-20-10-17(19(32)11-21(20)37(26)4)24(38)34-16-8-14(28)7-15(31)9-16/h5-11H,12H2,1-4H3,(H,33,39)(H,34,38)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124334 (US8759537, 72) Show SMILES Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3cccc(F)c3)c(OCC(F)F)cc12 Show InChI InChI=1S/C29H28F5N5O3/c1-29(2,3)27(41)35-13-15-8-9-19(31)25(24(15)34)38-28-37-20-11-18(26(40)36-17-7-5-6-16(30)10-17)22(42-14-23(32)33)12-21(20)39(28)4/h5-12,23H,13-14H2,1-4H3,(H,35,41)(H,36,40)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124342 (US8759537, 80) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)N3CC(F)(F)C3)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c(OCC(F)F)cc12 |r,wU:29.30,wD:32.37,(.64,-1.17,;.64,.37,;1.54,1.62,;3.08,1.62,;4.42,.85,;5.75,1.62,;5.75,3.16,;7.08,.85,;7.08,-.69,;5.75,-1.46,;5.75,-3,;7.08,-3.77,;8.42,-3,;8.42,-1.46,;9.75,-3.77,;9.75,-5.31,;11.29,-5.31,;12.83,-5.31,;11.69,-6.8,;11.29,-3.77,;4.42,-.69,;3.08,-1.46,;.64,2.86,;-.83,2.39,;-2.16,3.16,;-3.49,2.39,;-4.83,3.16,;-4.83,4.7,;-6.16,2.39,;-7.5,3.16,;-8.83,2.39,;-10.16,3.16,;-10.16,4.7,;-8.83,5.47,;-7.5,4.7,;-11.5,5.47,;-12.83,6.24,;-10.73,6.8,;-12.27,4.13,;-3.49,.85,;-4.83,.08,;-4.83,-1.46,;-6.16,-2.23,;-6.16,-3.77,;-7.5,-1.46,;-2.16,.08,;-.83,.85,)| Show InChI InChI=1S/C29H29Cl2F7N6O3/c1-43-20-9-21(47-11-22(32)33)17(25(45)40-16-5-3-15(4-6-16)29(36,37)38)8-19(20)41-26(43)42-24-18(30)7-2-14(23(24)31)10-39-27(46)44-12-28(34,35)13-44/h2,7-9,15-16,22H,3-6,10-13H2,1H3,(H,39,46)(H,40,45)(H,41,42)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124344 (US8759537, 82) Show SMILES CC1CCCN1C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@@H](CC4)C(F)(F)F)c(OCC(F)F)cc3n2C)c1Cl |r,wU:25.25,wD:28.32,(12.34,-2.47,;11.57,-3.8,;12.48,-5.05,;11.57,-6.29,;10.11,-5.82,;10.11,-4.28,;8.77,-3.51,;8.77,-1.97,;7.44,-4.28,;6.1,-3.51,;6.1,-1.97,;7.44,-1.2,;7.44,.34,;6.1,1.11,;6.1,2.65,;4.77,.34,;3.44,1.11,;1.9,1.11,;.99,2.36,;-.47,1.88,;-1.81,2.65,;-3.14,1.88,;-4.47,2.65,;-4.47,4.19,;-5.81,1.88,;-7.14,2.65,;-8.47,1.88,;-9.81,2.65,;-9.81,4.19,;-8.47,4.96,;-7.14,4.19,;-11.14,4.96,;-12.48,5.73,;-10.37,6.29,;-11.91,3.63,;-3.14,.34,;-4.47,-.43,;-4.47,-1.97,;-5.81,-2.74,;-5.81,-4.28,;-7.14,-1.97,;-1.81,-.43,;-.47,.34,;.99,-.13,;1.76,-1.47,;4.77,-1.2,;3.44,-1.97,)| Show InChI InChI=1S/C31H35Cl2F5N6O3/c1-16-4-3-11-44(16)30(46)39-14-17-5-10-21(32)27(26(17)33)42-29-41-22-12-20(24(47-15-25(34)35)13-23(22)43(29)2)28(45)40-19-8-6-18(7-9-19)31(36,37)38/h5,10,12-13,16,18-19,25H,3-4,6-9,11,14-15H2,1-2H3,(H,39,46)(H,40,45)(H,41,42)/t16?,18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124345 (US8759537, 85) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3c(F)ccc(F)c3F)c(OCC(F)F)cc12 Show InChI InChI=1S/C29H26Cl2F5N5O3/c1-29(2,3)27(43)37-11-13-5-6-15(30)24(22(13)31)40-28-38-18-9-14(20(44-12-21(34)35)10-19(18)41(28)4)26(42)39-25-17(33)8-7-16(32)23(25)36/h5-10,21H,11-12H2,1-4H3,(H,37,43)(H,38,40)(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124346 (US8759537, 177) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OCCF)cc12 Show InChI InChI=1S/C29H28Cl3F2N5O3/c1-29(2,3)27(41)35-14-15-5-7-18(30)25(24(15)32)38-28-37-21-12-17(23(42-10-9-33)13-22(21)39(28)4)26(40)36-16-6-8-20(34)19(31)11-16/h5-8,11-13H,9-10,14H2,1-4H3,(H,35,41)(H,36,40)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124347 (US8759537, 178) Show SMILES COCCOc1cc2n(C)c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)nc2cc1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C30H31Cl3FN5O4/c1-30(2,3)28(41)35-15-16-6-8-19(31)26(25(16)33)38-29-37-22-13-18(24(43-11-10-42-5)14-23(22)39(29)4)27(40)36-17-7-9-21(34)20(32)12-17/h6-9,12-14H,10-11,15H2,1-5H3,(H,35,41)(H,36,40)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124348 (US8759537, 179) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OC3CCOC3)cc12 Show InChI InChI=1S/C31H31Cl3FN5O4/c1-31(2,3)29(42)36-14-16-5-7-20(32)27(26(16)34)39-30-38-23-12-19(28(41)37-17-6-8-22(35)21(33)11-17)25(13-24(23)40(30)4)44-18-9-10-43-15-18/h5-8,11-13,18H,9-10,14-15H2,1-4H3,(H,36,42)(H,37,41)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118799 (US8674113, 56) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(cc12)N1CCC(CC1)C(F)(F)F Show InChI InChI=1S/C33H33Cl3F4N6O2/c1-32(2,3)30(48)41-16-17-5-7-22(35)28(27(17)36)44-31-43-24-14-20(29(47)42-19-6-8-21(34)23(37)13-19)25(15-26(24)45(31)4)46-11-9-18(10-12-46)33(38,39)40/h5-8,13-15,18H,9-12,16H2,1-4H3,(H,41,48)(H,42,47)(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118800 (US8674113, 57) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(cc12)N1CCC(CC1)C(F)(F)F Show InChI InChI=1S/C34H34Cl2F6N6O3/c1-32(2,3)30(50)43-17-18-5-10-23(35)28(27(18)36)46-31-45-24-15-22(29(49)44-20-6-8-21(9-7-20)51-34(40,41)42)25(16-26(24)47(31)4)48-13-11-19(12-14-48)33(37,38)39/h5-10,15-16,19H,11-14,17H2,1-4H3,(H,43,50)(H,44,49)(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118803 (US8674113, 60 | US8674113, 61) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(F)(F)CC3)c(cc12)N1CCC(CC1)C(F)(F)F Show InChI InChI=1S/C33H39Cl2F5N6O2/c1-31(2,3)29(48)41-17-18-5-6-22(34)27(26(18)35)44-30-43-23-15-21(28(47)42-20-7-11-32(36,37)12-8-20)24(16-25(23)45(30)4)46-13-9-19(10-14-46)33(38,39)40/h5-6,15-16,19-20H,7-14,17H2,1-4H3,(H,41,48)(H,42,47)(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118808 (US8674113, 65) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(cc12)N1CC2CC2C1 Show InChI InChI=1S/C32H32Cl3FN6O2/c1-32(2,3)30(44)37-13-16-5-7-21(33)28(27(16)35)40-31-39-24-11-20(29(43)38-19-6-8-23(36)22(34)10-19)25(12-26(24)41(31)4)42-14-17-9-18(17)15-42/h5-8,10-12,17-18H,9,13-15H2,1-4H3,(H,37,44)(H,38,43)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118814 (US8674113, 71) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@@H](CC4)C(F)(F)F)c(cc3n2CC(F)F)N2CCOCC2)c1Cl |r,wU:23.22,wD:26.29,(11.29,-3.08,;9.96,-3.85,;9.96,-5.39,;11.29,-4.62,;8.62,-3.08,;8.62,-1.54,;7.29,-3.85,;5.96,-3.08,;5.96,-1.54,;7.29,-.77,;7.29,.77,;5.96,1.54,;5.96,3.08,;4.62,.77,;3.29,1.54,;1.75,1.54,;.84,2.79,;-.62,2.31,;-1.95,3.08,;-3.29,2.31,;-4.62,3.08,;-4.62,4.62,;-5.96,2.31,;-7.29,3.08,;-8.62,2.31,;-9.96,3.08,;-9.96,4.62,;-8.62,5.39,;-7.29,4.62,;-11.29,5.39,;-12.62,6.16,;-12.62,4.62,;-11.29,6.93,;-3.29,.77,;-1.95,,;-.62,.77,;.84,.29,;.84,-1.25,;-.49,-2.02,;-1.98,-1.62,;-.89,-3.5,;-4.62,,;-5.96,.77,;-7.29,,;-7.29,-1.54,;-5.96,-2.31,;-4.62,-1.54,;4.62,-.77,;3.29,-1.54,)| Show InChI InChI=1S/C33H39Cl2F5N6O3/c1-32(2,3)30(48)41-16-18-4-9-22(34)28(27(18)35)44-31-43-23-14-21(29(47)42-20-7-5-19(6-8-20)33(38,39)40)24(45-10-12-49-13-11-45)15-25(23)46(31)17-26(36)37/h4,9,14-15,19-20,26H,5-8,10-13,16-17H2,1-3H3,(H,41,48)(H,42,47)(H,43,44)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118818 (US8674113, 75) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@@H](CC4)C(F)(F)F)c(cc3n2CC(F)F)N2CCC(CC2)C(F)(F)F)c1Cl |r,wU:23.22,wD:26.29,(11.29,-3.08,;9.96,-3.85,;9.96,-5.39,;11.29,-4.62,;8.62,-3.08,;8.62,-1.54,;7.29,-3.85,;5.96,-3.08,;5.96,-1.54,;7.29,-.77,;7.29,.77,;5.96,1.54,;5.96,3.08,;4.62,.77,;3.29,1.54,;1.75,1.54,;.84,2.79,;-.62,2.31,;-1.95,3.08,;-3.29,2.31,;-4.62,3.08,;-4.62,4.62,;-5.96,2.31,;-7.29,3.08,;-8.62,2.31,;-9.96,3.08,;-9.96,4.62,;-8.62,5.39,;-7.29,4.62,;-11.29,5.39,;-12.62,6.16,;-10.89,6.88,;-12.78,4.99,;-3.29,.77,;-1.95,,;-.62,.77,;.84,.29,;.84,-1.25,;-.49,-2.02,;-2.03,-2.02,;-.89,-3.5,;-4.62,,;-5.96,.77,;-7.29,,;-7.29,-1.54,;-5.96,-2.31,;-4.62,-1.54,;-8.62,-2.31,;-10.11,-2.71,;-9.71,-3.4,;-9.71,-1.22,;4.62,-.77,;3.29,-1.54,)| Show InChI InChI=1S/C35H40Cl2F8N6O2/c1-33(2,3)31(53)46-16-18-4-9-23(36)29(28(18)37)49-32-48-24-14-22(30(52)47-21-7-5-19(6-8-21)34(40,41)42)25(15-26(24)51(32)17-27(38)39)50-12-10-20(11-13-50)35(43,44)45/h4,9,14-15,19-21,27H,5-8,10-13,16-17H2,1-3H3,(H,46,53)(H,47,52)(H,48,49)/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118819 (US8674113, 76) Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NCC(F)(F)C(F)(F)F)c(cc3n2CC(F)F)N2CCC(CC2)C(F)(F)F)c1Cl Show InChI InChI=1S/C31H32Cl2F10N6O2/c1-28(2,3)26(51)44-12-15-4-5-18(32)24(23(15)33)47-27-46-19-10-17(25(50)45-14-29(36,37)31(41,42)43)20(11-21(19)49(27)13-22(34)35)48-8-6-16(7-9-48)30(38,39)40/h4-5,10-11,16,22H,6-9,12-14H2,1-3H3,(H,44,51)(H,45,50)(H,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118842 (US8674113, 99) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c(cc12)N1CC(C1)OC(F)F |r,wU:27.27,wD:30.34,(.84,-1.25,;.84,.29,;1.75,1.54,;3.29,1.54,;4.62,.77,;5.96,1.54,;5.96,3.08,;7.29,.77,;7.29,-.77,;5.96,-1.54,;5.96,-3.08,;7.29,-3.85,;8.62,-3.08,;8.62,-1.54,;9.96,-3.85,;11.29,-3.08,;9.96,-5.39,;11.29,-4.62,;4.62,-.77,;3.29,-1.54,;.84,2.79,;-.62,2.31,;-1.95,3.08,;-3.29,2.31,;-4.62,3.08,;-4.62,4.62,;-5.96,2.31,;-7.29,3.08,;-8.62,2.31,;-9.96,3.08,;-9.96,4.62,;-8.62,5.39,;-7.29,4.62,;-11.29,5.39,;-12.62,6.16,;-12.38,4.3,;-10.89,6.88,;-3.29,.77,;-1.95,,;-.62,.77,;-4.62,,;-6.16,,;-6.16,-1.54,;-4.62,-1.54,;-7.25,-2.63,;-8.79,-2.63,;-10.12,-1.86,;-9.56,-3.96,)| Show InChI InChI=1S/C32H37Cl2F5N6O3/c1-31(2,3)28(47)40-13-16-5-10-21(33)26(25(16)34)43-30-42-22-11-20(27(46)41-18-8-6-17(7-9-18)32(37,38)39)23(12-24(22)44(30)4)45-14-19(15-45)48-29(35)36/h5,10-12,17-19,29H,6-9,13-15H2,1-4H3,(H,40,47)(H,41,46)(H,42,43)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM118846 (US8674113, 103) Show SMILES CN(CC#C)c1cc2n(C)c(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)nc2cc1C(=O)N[C@H]1CC[C@@H](CC1)C(F)(F)F |r,wU:38.44,wD:35.37,(-5.96,.77,;-4.62,,;-4.62,-1.54,;-5.96,-2.31,;-7.29,-3.08,;-3.29,.77,;-1.95,,;-.62,.77,;.84,.29,;.84,-1.25,;1.75,1.54,;3.29,1.54,;4.62,.77,;5.96,1.54,;5.96,3.08,;7.29,.77,;7.29,-.77,;5.96,-1.54,;5.96,-3.08,;7.29,-3.85,;8.62,-3.08,;8.62,-1.54,;9.96,-3.85,;11.29,-3.08,;9.96,-5.39,;11.29,-4.62,;4.62,-.77,;3.29,-1.54,;.84,2.79,;-.62,2.31,;-1.95,3.08,;-3.29,2.31,;-4.62,3.08,;-4.62,4.62,;-5.96,2.31,;-7.29,3.08,;-7.29,4.62,;-8.62,5.39,;-9.96,4.62,;-9.96,3.08,;-8.62,2.31,;-11.29,5.39,;-12.78,4.99,;-12.62,6.16,;-11.29,6.93,)| Show InChI InChI=1S/C32H37Cl2F3N6O2/c1-7-14-42(5)24-16-25-23(15-21(24)28(44)39-20-11-9-19(10-12-20)32(35,36)37)40-30(43(25)6)41-27-22(33)13-8-18(26(27)34)17-38-29(45)31(2,3)4/h1,8,13,15-16,19-20H,9-12,14,17H2,2-6H3,(H,38,45)(H,39,44)(H,40,41)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...				US Patent US8674113 (2014) BindingDB Entry DOI: 10.7270/Q2708035
					More data for this Ligand-Target Pair

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