null

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(N)=O

InChI Key: InChIKey=XFKKUYQYPPAGIQ-PIHYDPKYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50318534   

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
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50318534 ((7S,24S,27S,30S,33S,36S,39S,42S)-36-((1H-imidazol-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(N)=O |r,wU:61.61,81.81,8.15,35.43,22.28,103.103,wD:52.54,46.47,31.32,72.72,18.19,4.4,(35.79,-14.77,;35.8,-13.23,;37.14,-12.47,;34.48,-12.45,;34.49,-10.91,;33.18,-10.12,;31.83,-10.87,;31.82,-12.41,;30.5,-10.09,;30.52,-8.55,;31.87,-7.79,;33.23,-8.43,;34.3,-7.3,;33.54,-5.95,;32.03,-6.26,;29.16,-10.85,;27.82,-10.08,;27.84,-8.54,;26.47,-10.84,;25.16,-10.03,;23.82,-10.79,;23.8,-12.33,;22.5,-10.02,;22.52,-8.48,;23.84,-7.71,;23.87,-6.17,;22.57,-5.38,;25.2,-5.41,;21.16,-10.77,;19.83,-10,;19.84,-8.46,;18.49,-10.76,;17.15,-9.98,;15.81,-10.74,;15.8,-12.28,;14.5,-9.95,;14.51,-8.41,;15.85,-7.66,;15.86,-6.12,;17.19,-5.35,;17.2,-3.81,;15.89,-3,;18.56,-3.03,;13.14,-10.68,;11.8,-9.92,;11.82,-8.38,;10.46,-10.68,;10.44,-12.22,;9.13,-9.89,;7.79,-10.64,;6.46,-9.85,;7.76,-12.18,;18.47,-12.3,;17.13,-13.06,;19.8,-13.08,;26.46,-12.38,;27.8,-13.16,;25.11,-13.14,;35.83,-10.15,;35.85,-8.61,;37.17,-10.9,;38.51,-10.15,;38.53,-8.61,;39.86,-7.84,;39.89,-6.3,;41.22,-5.54,;41.23,-4,;39.93,-3.21,;42.6,-3.24,;39.84,-10.92,;39.83,-12.46,;41.18,-10.17,;42.5,-10.97,;42.49,-12.51,;43.82,-13.28,;43.8,-14.82,;45.12,-15.6,;45.13,-17.13,;43.84,-10.2,;43.85,-8.66,;45.18,-10.97,;46.53,-10.22,;46.53,-8.68,;47.89,-7.92,;47.84,-11.01,;47.83,-12.55,;49.18,-10.24,;50.51,-11.03,;51.85,-10.27,;53.18,-11.06,;54.52,-10.3,;55.84,-11.08,;57.19,-10.32,;57.21,-8.78,;58.53,-11.09,;59.88,-10.34,;61.21,-11.14,;62.55,-10.38,;63.87,-11.16,;65.21,-10.41,;66.55,-11.18,;66.55,-12.73,;67.88,-10.4,;67.88,-8.86,;66.57,-8.1,;66.57,-6.54,;65.26,-5.78,;65.26,-4.22,;63.92,-3.46,;63.91,-1.92,;65.27,-1.13,;62.59,-1.15,;61.25,-1.88,;59.93,-1.1,;59.96,.44,;61.3,1.21,;62.62,.4,;64.17,1.67,;63.67,3.12,;62.15,3.41,;61.65,4.86,;62.66,6.02,;62.15,7.46,;64.17,5.73,;64.67,4.29,;66.19,3.99,;66.7,2.54,;68.18,2.27,;68.7,.83,;70.22,.55,;67.69,-.34,;66.18,-.07,;65.69,1.39,;61.25,-3.42,;59.92,-4.21,;62.58,-4.19,;69.24,-8.08,;69.24,-6.58,;70.59,-8.86,)| Show InChI InChI=1S/C91H136N24O24/c1-48(2)41-65(111-85(133)66(42-53-45-98-47-104-53)112-87(135)75(49(3)4)114-83(131)64(33-34-72(123)124)110-88(136)76(51(6)117)115-82(130)63(26-20-40-103-91(96)97)107-78(126)50(5)105-52(7)118)84(132)109-62(25-19-39-102-90(94)95)80(128)108-61(24-12-14-35-92)81(129)113-67(46-116)79(127)100-37-16-8-10-27-70(121)99-36-15-9-11-28-71(122)106-60(77(93)125)23-13-17-38-101-86(134)74-58(21-18-22-59(74)89(137)138)73-56-31-29-54(119)43-68(56)139-69-44-55(120)30-32-57(69)73/h18,21-22,29-32,43-45,47-51,60-67,75-76,116-117,119H,8-17,19-20,23-28,33-42,46,92H2,1-7H3,(H2,93,125)(H,98,104)(H,99,121)(H,100,127)(H,101,134)(H,105,118)(H,106,122)(H,107,126)(H,108,128)(H,109,132)(H,110,136)(H,111,133)(H,112,135)(H,113,129)(H,114,131)(H,115,130)(H,123,124)(H,137,138)(H4,94,95,102)(H4,96,97,103)/t50-,51+,60-,61-,62-,63-,64-,65-,66-,67-,75-,76-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to WDR5 expressed in pLysS cells after 24 hrs by optimized fluorescent polarization based saturation binding assay				J Med Chem 53: 5179-85 (2010) Article DOI: 10.1021/jm100139b BindingDB Entry DOI: 10.7270/Q2086678
					More data for this Ligand-Target Pair