BDBM50006678 CHEMBL3236299

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@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(N)=O

InChI Key: InChIKey=ATLKNTCDHMISRN-FGKCSOKSSA-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 = 50006678   

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))	BDBM50006678 (CHEMBL3236299) 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@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(N)=O |r,wU:38.41,100.104,13.13,56.59,85.88,4.3,72.75,134.143,wD:89.92,8.8,24.25,64.67,80.83,47.50,(70,-11.58,;70,-13.12,;71.33,-13.88,;68.66,-13.88,;68.66,-15.42,;67.34,-16.19,;66,-15.42,;66,-13.88,;64.67,-16.19,;64.67,-17.73,;63.34,-15.41,;62,-16.18,;62,-17.73,;60.67,-15.41,;60.67,-13.87,;62,-13.11,;62.01,-11.57,;63.35,-10.8,;64.68,-11.57,;64.68,-13.11,;63.35,-13.88,;59.34,-16.18,;58.01,-15.41,;58.01,-13.87,;56.67,-16.18,;56.67,-17.72,;58.01,-18.48,;59.41,-17.87,;60.45,-19.01,;59.67,-20.34,;60.15,-21.81,;59.11,-22.96,;57.6,-22.63,;57.14,-21.17,;58.16,-20.02,;55.34,-15.4,;54.02,-16.17,;54.02,-17.72,;52.68,-15.4,;52.68,-13.86,;54.02,-13.1,;54.02,-11.56,;52.69,-10.79,;55.35,-10.79,;51.35,-16.17,;50.01,-15.4,;50.01,-13.86,;48.68,-16.17,;48.68,-17.71,;50.01,-18.47,;50.01,-20.01,;48.68,-20.79,;51.34,-20.79,;47.35,-15.39,;46.02,-16.16,;46.02,-17.71,;44.69,-15.39,;44.69,-13.85,;46.02,-13.09,;47.36,-13.85,;46.02,-11.55,;43.36,-16.16,;42.02,-15.39,;42.02,-13.85,;40.69,-16.16,;40.69,-17.7,;42.02,-18.47,;43.35,-17.7,;42.02,-20,;39.36,-15.39,;38.03,-16.16,;38.03,-17.7,;36.69,-15.39,;36.69,-13.84,;38.03,-13.08,;39.36,-13.84,;38.03,-11.54,;35.37,-16.16,;34.03,-15.38,;34.03,-13.84,;32.7,-16.15,;32.7,-17.7,;31.36,-15.38,;30.03,-16.15,;30.03,-17.69,;28.7,-15.38,;27.37,-16.15,;26.04,-15.37,;26.04,-13.84,;24.71,-16.15,;24.71,-17.69,;26.04,-18.45,;27.37,-17.69,;28.7,-18.46,;28.7,-20,;27.36,-20.77,;26.03,-19.99,;23.38,-15.37,;22.04,-16.15,;22.04,-17.68,;20.7,-15.37,;20.7,-13.83,;22.04,-13.07,;23.38,-13.83,;22.04,-11.53,;19.38,-16.14,;18.06,-15.36,;18.08,-13.82,;16.72,-16.11,;15.4,-15.33,;14.07,-16.07,;12.74,-15.28,;12.76,-13.74,;14.1,-12.99,;15.43,-13.78,;14.51,-11.51,;16,-11.12,;13.43,-10.41,;11.43,-12.94,;10.09,-13.69,;10.07,-15.23,;8.71,-15.97,;7.4,-15.19,;6.03,-15.93,;7.42,-13.65,;8.77,-12.9,;8.78,-11.36,;10.14,-10.62,;10.16,-9.07,;11.51,-8.32,;11.52,-6.76,;12.83,-9.12,;12.8,-10.65,;11.46,-11.41,;28.7,-13.84,;27.37,-13.08,;30.03,-13.08,;70,-16.19,;71.33,-15.42,;70,-17.74,)| Show InChI InChI=1S/C94H110N16O29S/c1-44(2)32-63(80(95)124)102-81(125)46(5)97-85(129)65(34-49-16-10-8-11-17-49)105-87(131)67(36-51-43-96-60-21-15-14-20-55(51)60)107-84(128)62(29-31-74(116)117)100-83(127)61(28-30-73(114)115)101-86(130)64(33-45(3)4)104-89(133)69(41-76(120)121)108-88(132)68(40-75(118)119)103-82(126)47(6)98-92(136)79(48(7)111)110-91(135)66(35-50-18-12-9-13-19-50)106-90(134)70(42-77(122)123)109-94(140)99-52-22-25-56(59(37-52)93(137)138)78-57-26-23-53(112)38-71(57)139-72-39-54(113)24-27-58(72)78/h8-27,37-39,43-48,61-70,79,96,111-112H,28-36,40-42H2,1-7H3,(H2,95,124)(H,97,129)(H,98,136)(H,100,127)(H,101,130)(H,102,125)(H,103,126)(H,104,133)(H,105,131)(H,106,134)(H,107,128)(H,108,132)(H,110,135)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,137,138)(H2,99,109,140)/t46-,47-,48+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	330	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