BDBM50318543 Ac-RAEVHLRKS-NH2::CHEMBL1086452

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](C)NC(=O)[C@H](CCCN=C(N)N)NC(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(N)=O

InChI Key: InChIKey=DBRGJMAVCWIRNI-QXZHZWOVSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50318543   

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 (WDR5) (Homo sapiens (Human))	BDBM50318543 (Ac-RAEVHLRKS-NH2 | CHEMBL1086452) 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](C)NC(=O)[C@H](CCCN=C(N)N)NC(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(N)=O |r,wU:31.32,4.4,65.65,18.19,wD:22.28,54.54,36.44,74.74,8.15,(15.73,4.7,;15.73,3.18,;17.09,2.39,;14.37,2.39,;14.37,.87,;13.07,.04,;11.73,.8,;11.73,2.33,;10.41,.04,;10.41,-1.52,;11.73,-2.28,;13.13,-1.69,;14.16,-2.84,;13.38,-4.17,;11.88,-3.82,;9.07,.81,;7.74,.04,;7.74,-1.53,;6.39,.82,;5.06,.03,;3.72,.78,;3.72,2.3,;2.4,.02,;2.4,-1.55,;3.72,-2.32,;3.72,-3.88,;2.37,-4.62,;5.04,-4.64,;1.09,.82,;-.24,.03,;-.24,-1.54,;-1.59,.8,;-1.59,2.33,;-2.93,.06,;-4.29,.79,;-4.29,2.32,;-5.61,.03,;-5.61,-1.53,;-4.29,-2.3,;-4.29,-3.87,;-2.93,-4.6,;-2.96,-6.14,;-4.33,-6.86,;-1.62,-6.86,;-6.93,.82,;-6.95,2.36,;-8.28,3.14,;-5.62,3.13,;6.39,2.34,;7.74,3.13,;5.06,3.11,;15.73,.08,;15.73,-1.48,;17.07,.84,;18.4,.06,;18.4,-1.5,;19.72,-2.27,;19.72,-3.83,;21.06,-4.59,;21,-6.13,;19.68,-6.93,;22.36,-6.91,;19.72,.83,;19.72,2.35,;21.06,.06,;22.37,.87,;22.37,2.4,;23.72,3.18,;23.72,4.71,;25.08,5.49,;25.13,7,;23.72,.09,;23.72,-1.47,;25.07,.84,;26.4,.07,;26.4,-1.49,;27.73,-2.26,;27.73,.83,;29.08,.05,;27.73,2.36,)| Show InChI InChI=1S/C48H85N19O13/c1-24(2)19-33(44(78)63-31(13-10-18-57-48(53)54)41(75)62-30(11-7-8-16-49)42(76)66-35(22-68)38(50)72)64-45(79)34(20-28-21-55-23-58-28)65-46(80)37(25(3)4)67-43(77)32(14-15-36(70)71)61-39(73)26(5)59-40(74)29(60-27(6)69)12-9-17-56-47(51)52/h21,23-26,29-35,37,68H,7-20,22,49H2,1-6H3,(H2,50,72)(H,55,58)(H,59,74)(H,60,69)(H,61,73)(H,62,75)(H,63,78)(H,64,79)(H,65,80)(H,66,76)(H,67,77)(H,70,71)(H4,51,52,56)(H4,53,54,57)/t26-,29-,30-,31-,32-,33-,34-,35-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	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 by optimized fluorescent polarization based competitive 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
WD repeat-containing protein 5 (WDR5) (Homo sapiens (Human))	BDBM50318543 (Ac-RAEVHLRKS-NH2 | CHEMBL1086452) 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](C)NC(=O)[C@H](CCCN=C(N)N)NC(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(N)=O |r,wU:31.32,4.4,65.65,18.19,wD:22.28,54.54,36.44,74.74,8.15,(15.73,4.7,;15.73,3.18,;17.09,2.39,;14.37,2.39,;14.37,.87,;13.07,.04,;11.73,.8,;11.73,2.33,;10.41,.04,;10.41,-1.52,;11.73,-2.28,;13.13,-1.69,;14.16,-2.84,;13.38,-4.17,;11.88,-3.82,;9.07,.81,;7.74,.04,;7.74,-1.53,;6.39,.82,;5.06,.03,;3.72,.78,;3.72,2.3,;2.4,.02,;2.4,-1.55,;3.72,-2.32,;3.72,-3.88,;2.37,-4.62,;5.04,-4.64,;1.09,.82,;-.24,.03,;-.24,-1.54,;-1.59,.8,;-1.59,2.33,;-2.93,.06,;-4.29,.79,;-4.29,2.32,;-5.61,.03,;-5.61,-1.53,;-4.29,-2.3,;-4.29,-3.87,;-2.93,-4.6,;-2.96,-6.14,;-4.33,-6.86,;-1.62,-6.86,;-6.93,.82,;-6.95,2.36,;-8.28,3.14,;-5.62,3.13,;6.39,2.34,;7.74,3.13,;5.06,3.11,;15.73,.08,;15.73,-1.48,;17.07,.84,;18.4,.06,;18.4,-1.5,;19.72,-2.27,;19.72,-3.83,;21.06,-4.59,;21,-6.13,;19.68,-6.93,;22.36,-6.91,;19.72,.83,;19.72,2.35,;21.06,.06,;22.37,.87,;22.37,2.4,;23.72,3.18,;23.72,4.71,;25.08,5.49,;25.13,7,;23.72,.09,;23.72,-1.47,;25.07,.84,;26.4,.07,;26.4,-1.49,;27.73,-2.26,;27.73,.83,;29.08,.05,;27.73,2.36,)| Show InChI InChI=1S/C48H85N19O13/c1-24(2)19-33(44(78)63-31(13-10-18-57-48(53)54)41(75)62-30(11-7-8-16-49)42(76)66-35(22-68)38(50)72)64-45(79)34(20-28-21-55-23-58-28)65-46(80)37(25(3)4)67-43(77)32(14-15-36(70)71)61-39(73)26(5)59-40(74)29(60-27(6)69)12-9-17-56-47(51)52/h21,23-26,29-35,37,68H,7-20,22,49H2,1-6H3,(H2,50,72)(H,55,58)(H,59,74)(H,60,69)(H,61,73)(H,62,75)(H,63,78)(H,64,79)(H,65,80)(H,66,76)(H,67,77)(H,70,71)(H4,51,52,56)(H4,53,54,57)/t26-,29-,30-,31-,32-,33-,34-,35-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	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 by optimized fluorescent polarization based competitive 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