Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serpin H1' and Ligand = 'BDBM50320856'   

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)	BDBM50320856 (CHEMBL1165422) Show SMILES CC[C@H](C)[C@H](N(C)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)C(=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 |r| Show InChI InChI=1S/C111H167N31O34/c1-4-58(2)92(127(3)104(170)69-18-8-28-129(69)86(153)44-120-96(162)78-37-61(145)54-139(78)108(174)73-22-12-32-133(73)90(157)48-123-99(165)80-39-63(147)55-140(80)107(173)72-21-11-31-132(72)87(154)45-119-95(161)76-35-59(143)51-136(76)103(169)67-16-6-25-115-67)102(168)125-50-84(151)128-27-7-17-68(128)101(167)126-66(15-5-26-116-111(113)114)93(159)118-43-85(152)130-29-9-19-70(130)106(172)138-53-62(146)38-79(138)97(163)122-47-89(156)134-33-13-23-74(134)110(176)142-57-65(149)41-82(142)100(166)124-49-91(158)135-34-14-24-75(135)109(175)141-56-64(148)40-81(141)98(164)121-46-88(155)131-30-10-20-71(131)105(171)137-52-60(144)36-77(137)94(160)117-42-83(112)150/h58-82,92,115,143-149H,4-57H2,1-3H3,(H2,112,150)(H,117,160)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,168)(H,126,167)(H4,113,114,116)/t58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,92-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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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