Compile Data Set for Download or QSAR

Found 1133 hits with Last Name = 'ries' and Initial = 'uj'   

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
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)
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)
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
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))	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
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
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))	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
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310053 (US9657015, Example 16) Show SMILES CNC(=O)N1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:6| Show InChI InChI=1S/C23H18F3N5O3/c1-28-21(33)31-19(14-7-5-13(12-27)6-8-14)18-17(9-10-29-20(18)32)30(22(31)34)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,19H,9-10H2,1H3,(H,28,33)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310054 (BDBM310055 | US9657015, Example 17) Show SMILES OCCNC(=O)N1CCC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O |t:9| Show InChI InChI=1S/C24H20F3N5O4/c25-24(26,27)16-2-1-3-17(12-16)32-18-8-10-31(22(35)29-9-11-33)21(34)19(18)20(30-23(32)36)15-6-4-14(13-28)5-7-15/h1-7,12,20,33H,8-11H2,(H,29,35)(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310059 (US9657015, Example 22) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1Br)C#N |t:3| Show InChI InChI=1S/C22H16BrF3N4O2/c1-29-19(15-6-5-12(11-27)9-16(15)23)18-17(7-8-28-20(18)31)30(21(29)32)14-4-2-3-13(10-14)22(24,25)26/h2-6,9-10,19H,7-8H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310060 (US9657015, Example 23) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1-c1cnco1)C#N |c:16| Show InChI InChI=1S/C24H16F3N5O3/c25-24(26,27)14-2-1-3-15(9-14)32-18-6-7-30-22(33)20(18)21(31-23(32)34)16-5-4-13(10-28)8-17(16)19-11-29-12-35-19/h1-5,8-9,11-12,21H,6-7H2,(H,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310061 (US9657015, Example 24) Show SMILES Cn1cc(cn1)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)NCC2)c1cccc(c1)C(F)(F)F)C#N |c:19| Show InChI InChI=1S/C25H19F3N6O2/c1-33-13-15(12-31-33)19-9-14(11-29)5-6-18(19)22-21-20(7-8-30-23(21)35)34(24(36)32-22)17-4-2-3-16(10-17)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,30,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310062 (US9657015, Example 25 | US9657015, Example 30A) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N |t:3| Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(11-29)9-18(17)20-12-30-13-36-20)21-19(7-8-31-23(21)34)33(24(32)35)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310063 (US9657015, Example 26) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N |t:3| Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310064 (US9657015, Example 27) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1C(F)(F)F)C#N |c:16| Show InChI InChI=1S/C22H14F6N4O2/c23-21(24,25)12-2-1-3-13(9-12)32-16-6-7-30-19(33)17(16)18(31-20(32)34)14-5-4-11(10-29)8-15(14)22(26,27)28/h1-5,8-9,18H,6-7H2,(H,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310065 (US9657015, Example 28) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)C#N |t:3| Show InChI InChI=1S/C23H16F6N4O2/c1-32-19(15-6-5-12(11-30)9-16(15)23(27,28)29)18-17(7-8-31-20(18)34)33(21(32)35)14-4-2-3-13(10-14)22(24,25)26/h2-6,9-10,19H,7-8H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310066 (US9657015, Example 29) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N |t:3| Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310062 (US9657015, Example 25 | US9657015, Example 30A) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N |t:3| Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(11-29)9-18(17)20-12-30-13-36-20)21-19(7-8-31-23(21)34)33(24(32)35)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310069 (US9657015, Example 31A) Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N |r,t:3| Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310071 (US9657015, Example 32A) Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N |r,t:3| Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(H,28,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310073 (US9657015, Example 33) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncc1)C#N |t:3| Show InChI InChI=1S/C27H20F3N5O2/c1-34-24(20-6-5-16(15-31)13-21(20)17-7-10-32-11-8-17)23-22(9-12-33-25(23)36)35(26(34)37)19-4-2-3-18(14-19)27(28,29)30/h2-8,10-11,13-14,24H,9,12H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310074 (US9657015, Example 34) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cccnc1)C#N |t:3| Show InChI InChI=1S/C27H20F3N5O2/c1-34-24(20-8-7-16(14-31)12-21(20)17-4-3-10-32-15-17)23-22(9-11-33-25(23)36)35(26(34)37)19-6-2-5-18(13-19)27(28,29)30/h2-8,10,12-13,15,24H,9,11H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310075 (US9657015, Example 35) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncn1)C#N |t:3| Show InChI InChI=1S/C26H19F3N6O2/c1-34-23(18-6-5-15(13-30)11-19(18)20-7-9-31-14-33-20)22-21(8-10-32-24(22)36)35(25(34)37)17-4-2-3-16(12-17)26(27,28)29/h2-7,9,11-12,14,23H,8,10H2,1H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310076 (US9657015, Example 36 | US9657015, Example 36.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O |t:4| Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310080 (US9657015, Example 37) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnco2)C#N)C1=O |t:4| Show InChI InChI=1S/C26H20F3N5O3/c1-32-9-8-20-22(24(32)35)23(18-7-6-15(12-30)10-19(18)21-13-31-14-37-21)33(2)25(36)34(20)17-5-3-4-16(11-17)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310081 (US9657015, Example 38) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2CO)C#N)C1=O |t:4| Show InChI InChI=1S/C24H21F3N4O3/c1-29-9-8-19-20(22(29)33)21(18-7-6-14(12-28)10-15(18)13-32)30(2)23(34)31(19)17-5-3-4-16(11-17)24(25,26)27/h3-7,10-11,21,32H,8-9,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310082 (US9657015, Example 39 | US9657015, Example 39.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O |t:4| Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310082 (US9657015, Example 39 | US9657015, Example 39.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O |t:4| Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair

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