Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serpin H1' and Ligand = 'BDBM50320855'   

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
Serpin H1 (Mus musculus)	BDBM50320855 (CHEMBL1163316) Show SMILES CN(CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C107H159N31O34/c1-123(100(166)66-15-5-25-125(66)84(150)42-117-93(159)75-34-58(141)51-135(75)104(170)70-19-9-29-129(70)88(154)46-120-96(162)77-36-60(143)52-136(77)103(169)69-18-8-28-128(69)85(151)43-116-92(158)73-32-56(139)48-132(73)99(165)64-13-3-22-111-64)55-81(147)113-40-82(148)124-24-4-14-65(124)98(164)122-63(12-2-23-112-107(109)110)90(156)115-41-83(149)126-26-6-16-67(126)102(168)134-50-59(142)35-76(134)94(160)119-45-87(153)130-30-10-20-71(130)106(172)138-54-62(145)38-79(138)97(163)121-47-89(155)131-31-11-21-72(131)105(171)137-53-61(144)37-78(137)95(161)118-44-86(152)127-27-7-17-68(127)101(167)133-49-57(140)33-74(133)91(157)114-39-80(108)146/h56-79,111,139-145H,2-55H2,1H3,(H2,108,146)(H,113,147)(H,114,157)(H,115,156)(H,116,158)(H,117,159)(H,118,161)(H,119,160)(H,120,162)(H,121,163)(H,122,164)(H4,109,110,112)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay				Bioorg Med Chem 18: 3767-75 (2010) Article DOI: 10.1016/j.bmc.2010.04.054 BindingDB Entry DOI: 10.7270/Q2J966JM
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