null

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O

InChI Key: InChIKey=ASDXUQQMEQRYEX-CQBQRRIOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006725   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replication protein A 70 kDa DNA-binding subunit (Homo sapiens (Human))	BDBM50006725 (CHEMBL3236544) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:50.53,40.43,109.118,123.131,60.63,75.79,13.13,4.3,wD:8.8,26.27,55.58,115.123,64.67,131.139,c:48,(73.25,-15.83,;71.91,-15.06,;71.91,-13.53,;70.58,-15.83,;70.58,-17.36,;69.25,-18.13,;67.93,-17.36,;67.93,-15.83,;66.6,-18.13,;66.6,-19.67,;65.26,-17.35,;63.94,-18.12,;63.94,-19.67,;62.6,-17.35,;62.6,-15.82,;63.94,-15.05,;65.27,-15.83,;66.6,-15.06,;66.6,-13.52,;67.94,-12.76,;65.27,-12.74,;65.27,-11.21,;63.94,-13.52,;61.26,-18.12,;59.93,-17.35,;59.93,-15.82,;58.6,-18.12,;58.6,-19.66,;59.93,-20.42,;61.34,-19.81,;62.36,-20.94,;61.59,-22.28,;62.08,-23.74,;61.04,-24.88,;59.53,-24.56,;59.07,-23.09,;60.09,-21.96,;57.28,-17.34,;55.95,-18.11,;55.95,-19.66,;54.61,-17.34,;55.7,-16.24,;53.84,-16,;54.6,-14.67,;53.84,-13.34,;54.6,-12.01,;53.83,-10.68,;40.9,-13.94,;40.51,-15.42,;39.03,-15.83,;38.64,-17.32,;37.86,-15.98,;37.32,-18.1,;35.98,-17.32,;35.98,-15.79,;34.65,-18.09,;34.65,-19.63,;33.32,-17.31,;31.99,-18.09,;31.99,-19.62,;30.65,-17.31,;29.33,-18.08,;28,-17.31,;28,-15.78,;26.67,-18.08,;26.67,-19.62,;28,-20.39,;28,-21.92,;29.32,-22.69,;30.65,-21.92,;30.65,-20.39,;29.32,-19.62,;25.34,-17.3,;24,-18.08,;24,-19.61,;22.67,-17.3,;22.67,-15.77,;24,-15.01,;25.34,-15.77,;24,-13.47,;21.34,-18.08,;19.95,-17.26,;19.97,-15.64,;18.54,-18.04,;17.16,-17.22,;15.76,-18,;14.37,-17.17,;14.39,-15.55,;15.8,-14.77,;17.19,-15.6,;16.23,-13.22,;17.8,-12.8,;15.1,-12.06,;12.99,-14.72,;11.59,-15.51,;11.57,-17.12,;10.15,-17.9,;8.77,-17.08,;7.33,-17.86,;8.79,-15.46,;10.2,-14.67,;10.22,-13.06,;11.65,-12.28,;11.66,-10.66,;13.08,-9.87,;13.1,-8.24,;14.47,-10.71,;14.43,-12.32,;13.02,-13.11,;30.65,-15.78,;29.33,-15.02,;31.99,-15.02,;39.97,-18.1,;39.97,-19.63,;41.3,-17.32,;42.64,-18.1,;42.64,-19.64,;43.96,-20.41,;45.29,-19.64,;43.96,-21.94,;43.96,-17.33,;43.96,-15.8,;45.3,-18.11,;46.63,-17.33,;46.63,-15.8,;47.96,-15.03,;47.96,-13.5,;49.29,-15.8,;47.96,-18.11,;47.96,-19.64,;49.29,-17.33,;50.62,-18.11,;50.62,-19.65,;51.95,-20.41,;51.95,-21.95,;50.62,-22.72,;53.28,-22.72,;51.95,-17.34,;51.95,-15.81,;53.29,-18.12,;71.91,-18.13,;73.24,-17.36,;71.91,-19.68,)| Show InChI InChI=1S/C99H118Cl2N16O25S/c1-49(2)37-69-86(129)107-68(33-34-79(122)123)91(134)117-99(9,96(141)112-72(42-56-48-103-67-24-18-17-23-60(56)67)87(130)110-71(41-55-25-32-65(100)66(101)39-55)85(128)104-51(5)83(126)111-75(94(138)139)38-50(3)4)36-20-13-11-10-12-19-35-98(8,95(140)113-74(47-80(124)125)89(132)108-69)116-84(127)52(6)105-92(135)82(53(7)118)115-90(133)70(40-54-21-15-14-16-22-54)109-88(131)73(46-78(102)121)114-97(143)106-57-26-29-61(64(43-57)93(136)137)81-62-30-27-58(119)44-76(62)142-77-45-59(120)28-31-63(77)81/h10-11,14-18,21-32,39,43-45,48-53,68-75,82,103,118-119H,12-13,19-20,33-38,40-42,46-47H2,1-9H3,(H2,102,121)(H,104,128)(H,105,135)(H,107,129)(H,108,132)(H,109,131)(H,110,130)(H,111,126)(H,112,141)(H,113,140)(H,115,133)(H,116,127)(H,117,134)(H,122,123)(H,124,125)(H,136,137)(H,138,139)(H2,106,114,143)/b11-10-/t51-,52-,53+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...				J Med Chem 57: 2455-61 (2014) Article DOI: 10.1021/jm401730y BindingDB Entry DOI: 10.7270/Q29888H7
					More data for this Ligand-Target Pair