Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50018513   

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
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50270029 (2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-pro...) Show SMILES NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N |r| Show InChI InChI=1S/C12H13IN4O2/c13-9-3-1-8(2-4-9)5-10(11(18)7-16-15)17-12(19)6-14/h1-4,7,10H,5-6,14H2,(H,17,19)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50609008 (CHEMBL5269225) Show SMILES CC[C@H](NC(=O)C1(C)CCOCC1)\C=C\C(=O)N1CCc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50270030 (2-Amino-N-((S)-1-benzyl-3-diazo-2-oxo-propyl)-acet...) Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N |r| Show InChI InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
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Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
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Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50609007 (CHEMBL5290773) Show SMILES C[C@@H](O)[C@H](N)C(=O)N[C@H](CCC(O)=O)\C=C\S(C)(=O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50147181 (3-{[1-(2-Amino-acetylamino)-3-methyl-butyl]-hydrox...) Show SMILES CC(C)CC(NC(=O)CN)P(O)(=O)CCC(O)=O Show InChI InChI=1S/C10H21N2O5P/c1-7(2)5-9(12-8(13)6-11)18(16,17)4-3-10(14)15/h7,9H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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