Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270941'   

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
IgG receptor FcRn large subunit p51 (Homo sapiens (Human))	BDBM50270941 ((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#8])=O |r| Show InChI InChI=1S/C72H101N17O16S2/c1-41(2)31-55(66(100)83-52(34-45-24-26-47(91)27-25-45)69(103)89-30-16-23-54(89)65(99)84-53(40-106)70(104)105)88(7)58(94)39-87(6)57(93)38-79-62(96)49(32-43-17-10-8-11-18-43)82-63(97)50(35-46-21-14-28-76-36-46)80-56(92)37-78-67(101)59(42(3)90)85-68(102)60(72(4,5)107)86-64(98)51(33-44-19-12-9-13-20-44)81-61(95)48(73)22-15-29-77-71(74)75/h8-14,17-21,24-28,36,41-42,48-55,59-60,90-91,106-107H,15-16,22-23,29-35,37-40,73H2,1-7H3,(H,78,101)(H,79,96)(H,80,92)(H,81,95)(H,82,97)(H,83,100)(H,84,99)(H,85,102)(H,86,98)(H,104,105)(H4,74,75,77)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntonix Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human IgG binding to soluble human FcRn by ELISA				Bioorg Med Chem 16: 6394-405 (2008) Article DOI: 10.1016/j.bmc.2008.05.004 BindingDB Entry DOI: 10.7270/Q2QV3M9C
					More data for this Ligand-Target Pair
IgG receptor FcRn large subunit p51 (Homo sapiens (Human))	BDBM50270941 ((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#8])=O |r| Show InChI InChI=1S/C72H101N17O16S2/c1-41(2)31-55(66(100)83-52(34-45-24-26-47(91)27-25-45)69(103)89-30-16-23-54(89)65(99)84-53(40-106)70(104)105)88(7)58(94)39-87(6)57(93)38-79-62(96)49(32-43-17-10-8-11-18-43)82-63(97)50(35-46-21-14-28-76-36-46)80-56(92)37-78-67(101)59(42(3)90)85-68(102)60(72(4,5)107)86-64(98)51(33-44-19-12-9-13-20-44)81-61(95)48(73)22-15-29-77-71(74)75/h8-14,17-21,24-28,36,41-42,48-55,59-60,90-91,106-107H,15-16,22-23,29-35,37-40,73H2,1-7H3,(H,78,101)(H,79,96)(H,80,92)(H,81,95)(H,82,97)(H,83,100)(H,84,99)(H,85,102)(H,86,98)(H,104,105)(H4,74,75,77)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	640	n/a	n/a	n/a	6.0	n/a
Syntonix Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human FcRn at pH 6 by surface plasmon resonance assay				Bioorg Med Chem 16: 6394-405 (2008) Article DOI: 10.1016/j.bmc.2008.05.004 BindingDB Entry DOI: 10.7270/Q2QV3M9C
					More data for this Ligand-Target Pair
IgG receptor FcRn large subunit p51 (Homo sapiens (Human))	BDBM50270941 ((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#8])=O |r| Show InChI InChI=1S/C72H101N17O16S2/c1-41(2)31-55(66(100)83-52(34-45-24-26-47(91)27-25-45)69(103)89-30-16-23-54(89)65(99)84-53(40-106)70(104)105)88(7)58(94)39-87(6)57(93)38-79-62(96)49(32-43-17-10-8-11-18-43)82-63(97)50(35-46-21-14-28-76-36-46)80-56(92)37-78-67(101)59(42(3)90)85-68(102)60(72(4,5)107)86-64(98)51(33-44-19-12-9-13-20-44)81-61(95)48(73)22-15-29-77-71(74)75/h8-14,17-21,24-28,36,41-42,48-55,59-60,90-91,106-107H,15-16,22-23,29-35,37-40,73H2,1-7H3,(H,78,101)(H,79,96)(H,80,92)(H,81,95)(H,82,97)(H,83,100)(H,84,99)(H,85,102)(H,86,98)(H,104,105)(H4,74,75,77)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	7.4	n/a
Syntonix Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human FcRn at pH 7.4 by surface plasmon resonance assay				Bioorg Med Chem 16: 6394-405 (2008) Article DOI: 10.1016/j.bmc.2008.05.004 BindingDB Entry DOI: 10.7270/Q2QV3M9C
					More data for this Ligand-Target Pair