Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'biggs' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50263384 (6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...) Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1 Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	5.3	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp a...				Bioorg Med Chem Lett 18: 5609-13 (2008) Article DOI: 10.1016/j.bmcl.2008.08.105 BindingDB Entry DOI: 10.7270/Q2PZ58PN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429204 (CHEMBL2338549) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](COS([O-])(=O)=O)OC)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)[C@H](C)CC |r| Show InChI InChI=1S/C48H67N7O16S/c1-9-26(4)38(51-43(60)36(69-8)25-70-72(66,67)68)44(61)53-40-28(6)71-48(65)39(27(5)10-2)52-42(59)34(23-30-17-19-31(56)20-18-30)54(7)47(64)35(24-29-15-13-12-14-16-29)55-37(57)22-21-33(46(55)63)50-41(58)32(11-3)49-45(40)62/h11-20,26-28,33-40,56-57H,9-10,21-25H2,1-8H3,(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,61)(H,66,67,68)/p-1/b32-11-/t26-,27+,28+,33-,34-,35-,36+,37+,38-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429202 (LYNGBYASTATIN 7) Show SMILES CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C |r| Show InChI InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429205 (CHEMBL2338551) Show SMILES CO[C@H](COS([O-])(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C |r| Show InChI InChI=1S/C46H63N7O16S/c1-9-30-39(56)48-31-19-20-35(55)53(44(31)61)33(22-27-13-11-10-12-14-27)45(62)52(7)32(21-28-15-17-29(54)18-16-28)40(57)50-37(25(4)5)46(63)69-26(6)38(43(60)47-30)51-42(59)36(24(2)3)49-41(58)34(67-8)23-68-70(64,65)66/h9-18,24-26,31-38,54-55H,19-23H2,1-8H3,(H,47,60)(H,48,56)(H,49,58)(H,50,57)(H,51,59)(H,64,65,66)/p-1/b30-9-/t26-,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50263384 (6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...) Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1 Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	5.3	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 18: 5609-13 (2008) Article DOI: 10.1016/j.bmcl.2008.08.105 BindingDB Entry DOI: 10.7270/Q2PZ58PN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429206 (CHEMBL2338550) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS([O-])(=O)=O)OC)C(C)C)[C@@H](C)OC1=O)=C\C)C2=O |r| Show InChI InChI=1S/C47H65N7O16S/c1-9-26(5)38-47(64)70-27(6)39(52-43(60)37(25(3)4)50-42(59)35(68-8)24-69-71(65,66)67)44(61)48-31(10-2)40(57)49-32-20-21-36(56)54(45(32)62)34(23-28-14-12-11-13-15-28)46(63)53(7)33(41(58)51-38)22-29-16-18-30(55)19-17-29/h10-19,25-27,32-39,55-56H,9,20-24H2,1-8H3,(H,48,61)(H,49,57)(H,50,59)(H,51,58)(H,52,60)(H,65,66,67)/p-1/b31-10-/t26-,27-,32+,33+,34+,35-,36-,37+,38+,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50263384 (6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...) Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1 Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp ass...				Bioorg Med Chem Lett 18: 5609-13 (2008) Article DOI: 10.1016/j.bmcl.2008.08.105 BindingDB Entry DOI: 10.7270/Q2PZ58PN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429203 (LYNGBYASTATIN 4) Show SMILES C\C=C1/NC(=O)[C@@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](O)COS(O)(=O)=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C Show InChI InChI=1S/C53H68N8O18S/c1-7-36-46(67)57-38-23-24-42(65)61(51(38)72)40(26-32-11-9-8-10-12-32)52(73)60(6)39(25-33-15-20-35(63)21-16-33)48(69)58-43(28(2)3)53(74)79-30(5)44(50(71)55-36)59-47(68)37(22-17-31-13-18-34(62)19-14-31)56-45(66)29(4)54-49(70)41(64)27-78-80(75,76)77/h7-16,18-21,28-30,37-44,62-65H,17,22-27H2,1-6H3,(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,69)(H,59,68)(H,75,76,77)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Cavia porcellus)	BDBM50263384 (6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...) Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1 Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	5.3	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 18: 5609-13 (2008) Article DOI: 10.1016/j.bmcl.2008.08.105 BindingDB Entry DOI: 10.7270/Q2PZ58PN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429201 (CHEMBL2338554) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS([O-])(=O)=O)OC)C(C)C)[C@@H](C)OC1=O)=C\C)C2=O |r| Show InChI InChI=1S/C47H65N7O15S/c1-9-27(5)38-47(63)69-28(6)39(52-43(59)37(26(3)4)50-42(58)35(67-8)25-68-70(64,65)66)44(60)48-31(10-2)40(56)49-32-21-22-36(55)54(45(32)61)34(24-30-19-15-12-16-20-30)46(62)53(7)33(41(57)51-38)23-29-17-13-11-14-18-29/h10-20,26-28,32-39,55H,9,21-25H2,1-8H3,(H,48,60)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,64,65,66)/p-1/b31-10-/t27-,28-,32+,33+,34+,35-,36-,37+,38+,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase-induced antiproliferative activity expressed in BEAS2B cells assessed as cytoprotectivity after 24 hrs by MTT...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50263384 (6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...) Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1 Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	5.3	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 18: 5609-13 (2008) Article DOI: 10.1016/j.bmcl.2008.08.105 BindingDB Entry DOI: 10.7270/Q2PZ58PN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429208 (CHEMBL2338553) Show SMILES CO[C@H](COS([O-])(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C |r| Show InChI InChI=1S/C46H63N7O15S/c1-9-30-39(55)48-31-20-21-35(54)53(44(31)60)33(23-29-18-14-11-15-19-29)45(61)52(7)32(22-28-16-12-10-13-17-28)40(56)50-37(26(4)5)46(62)68-27(6)38(43(59)47-30)51-42(58)36(25(2)3)49-41(57)34(66-8)24-67-69(63,64)65/h9-19,25-27,31-38,54H,20-24H2,1-8H3,(H,47,59)(H,48,55)(H,49,57)(H,50,56)(H,51,58)(H,63,64,65)/p-1/b30-9-/t27-,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429201 (CHEMBL2338554) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS([O-])(=O)=O)OC)C(C)C)[C@@H](C)OC1=O)=C\C)C2=O |r| Show InChI InChI=1S/C47H65N7O15S/c1-9-27(5)38-47(63)69-28(6)39(52-43(59)37(26(3)4)50-42(58)35(67-8)25-68-70(64,65)66)44(60)48-31(10-2)40(56)49-32-21-22-36(55)54(45(32)61)34(24-30-19-15-12-16-20-30)46(62)53(7)33(41(57)51-38)23-29-17-13-11-14-18-29/h10-20,26-28,32-39,55H,9,21-25H2,1-8H3,(H,48,60)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,64,65,66)/p-1/b31-10-/t27-,28-,32+,33+,34+,35-,36-,37+,38+,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429207 (CHEMBL2338552) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](COS([O-])(=O)=O)OC)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)[C@H](C)CC |r| Show InChI InChI=1S/C48H67N7O15S/c1-9-27(4)38(51-43(59)36(68-8)26-69-71(65,66)67)44(60)53-40-29(6)70-48(64)39(28(5)10-2)52-42(58)34(24-30-18-14-12-15-19-30)54(7)47(63)35(25-31-20-16-13-17-21-31)55-37(56)23-22-33(46(55)62)50-41(57)32(11-3)49-45(40)61/h11-21,27-29,33-40,56H,9-10,22-26H2,1-8H3,(H,49,61)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,65,66,67)/p-1/b32-11-/t27-,28+,29+,33-,34-,35-,36+,37+,38-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263425 (6-(4-fluorophenyl)-2-methyl-N-(quinolin-7-yl)nicot...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc2cccnc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16FN3O/c1-14-19(10-11-20(25-14)16-4-7-17(23)8-5-16)22(27)26-18-9-6-15-3-2-12-24-21(15)13-18/h2-13H,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 5609-13 (2008) Article DOI: 10.1016/j.bmcl.2008.08.105 BindingDB Entry DOI: 10.7270/Q2PZ58PN
					More data for this Ligand-Target Pair