BDBM50006681 CHEMBL3236302

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)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(O)=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=NJJUTBYICPQTDG-BHQZNBNISA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006681   

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))	BDBM50006681 (CHEMBL3236302) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)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(O)=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:58.61,4.3,48.51,38.41,73.77,107.116,121.129,13.13,wD:24.25,53.56,129.137,8.8,62.65,113.121,c:46,(75.65,-17.81,;74.32,-17.04,;74.32,-15.51,;72.98,-17.81,;72.98,-19.34,;71.66,-20.11,;70.33,-19.34,;70.33,-17.81,;69,-20.11,;69,-21.65,;67.67,-19.33,;66.34,-20.1,;66.34,-21.65,;65.01,-19.33,;65.01,-17.8,;66.34,-17.03,;67.67,-17.81,;69.01,-17.04,;69.01,-15.51,;67.68,-14.73,;66.35,-15.5,;63.67,-20.1,;62.34,-19.33,;62.34,-17.8,;61.01,-20.1,;61.01,-21.64,;62.34,-22.4,;63.75,-21.78,;64.77,-22.92,;64,-24.26,;64.48,-25.72,;63.45,-26.86,;61.94,-26.54,;61.47,-25.07,;62.5,-23.93,;59.69,-19.32,;58.36,-20.09,;58.36,-21.63,;57.02,-19.32,;58.11,-18.22,;56.25,-17.98,;57.01,-16.65,;56.25,-15.32,;57.01,-13.99,;56.25,-12.66,;43.32,-15.92,;42.93,-17.41,;41.45,-17.81,;41.06,-19.3,;40.28,-17.96,;39.74,-20.08,;38.4,-19.3,;38.4,-17.77,;37.07,-20.07,;37.07,-21.61,;35.74,-19.29,;34.41,-20.07,;34.41,-21.6,;33.07,-19.29,;31.75,-20.06,;30.42,-19.29,;30.42,-17.76,;29.09,-20.06,;29.09,-21.6,;30.42,-22.36,;31.74,-21.6,;33.07,-22.37,;33.07,-23.9,;31.74,-24.67,;30.42,-23.9,;27.76,-19.28,;26.42,-20.06,;26.42,-21.59,;25.09,-19.28,;25.09,-17.75,;26.42,-16.99,;27.77,-17.75,;26.42,-15.45,;23.76,-20.06,;22.38,-19.24,;22.4,-17.62,;20.97,-20.02,;19.58,-19.2,;18.19,-19.98,;16.8,-19.15,;16.82,-17.53,;18.23,-16.75,;19.62,-17.58,;18.66,-15.2,;20.22,-14.79,;17.53,-14.05,;15.42,-16.7,;14.02,-17.49,;14,-19.1,;12.58,-19.88,;11.2,-19.06,;9.76,-19.84,;11.22,-17.44,;12.63,-16.65,;12.65,-15.04,;14.07,-14.27,;14.09,-12.64,;15.51,-11.85,;15.52,-10.22,;16.89,-12.69,;16.86,-14.3,;15.45,-15.09,;33.07,-17.76,;31.75,-17,;34.41,-17,;42.39,-20.08,;42.39,-21.61,;43.72,-19.3,;45.05,-20.08,;45.05,-21.62,;46.38,-22.39,;47.71,-21.62,;46.38,-23.92,;46.38,-19.31,;46.38,-17.78,;47.71,-20.09,;49.04,-19.31,;49.04,-17.78,;50.37,-17.01,;51.7,-17.78,;50.37,-15.48,;50.37,-20.09,;50.37,-21.62,;51.7,-19.31,;53.04,-20.09,;53.04,-21.63,;54.36,-22.39,;54.36,-23.93,;53.03,-24.7,;55.69,-24.7,;54.36,-19.32,;54.36,-17.79,;55.7,-20.09,;74.32,-20.11,;75.64,-19.34,;74.32,-21.66,)| Show InChI InChI=1S/C99H119N15O26S/c1-51(2)40-69-86(127)104-68(36-37-78(118)119)91(132)114-99(9,96(139)109-72(44-58-50-100-67-29-21-20-28-62(58)67)87(128)106-70(42-56-24-16-14-17-25-56)85(126)101-53(5)83(124)108-75(94(136)137)41-52(3)4)39-23-13-11-10-12-22-38-98(8,95(138)110-73(48-79(120)121)88(129)105-69)113-84(125)54(6)102-92(133)82(55(7)115)112-90(131)71(43-57-26-18-15-19-27-57)107-89(130)74(49-80(122)123)111-97(141)103-59-30-33-63(66(45-59)93(134)135)81-64-34-31-60(116)46-76(64)140-77-47-61(117)32-35-65(77)81/h10-11,14-21,24-35,45-47,50-55,68-75,82,100,115-116H,12-13,22-23,36-44,48-49H2,1-9H3,(H,101,126)(H,102,133)(H,104,127)(H,105,129)(H,106,128)(H,107,130)(H,108,124)(H,109,139)(H,110,138)(H,112,131)(H,113,125)(H,114,132)(H,118,119)(H,120,121)(H,122,123)(H,134,135)(H,136,137)(H2,103,111,141)/b11-10-/t53-,54-,55+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	570	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