BDBM50392244 CHEMBL2153475

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O

InChI Key: InChIKey=ZEUMBESJMNEXFU-BXCAZVQPSA-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 = 50392244   

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
MDM2-MDMX (Homo sapiens (Human))	BDBM50392244 (CHEMBL2153475) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:38.43,22.30,8.8,90.95,wD:81.87,67.83,53.67,46.46,33.34,13.18,4.4,98.103,(32.98,-24.45,;32.95,-26.01,;34.25,-26.8,;31.61,-26.75,;31.58,-28.3,;30.23,-29.05,;28.92,-28.27,;28.95,-26.71,;27.56,-29.01,;27.53,-30.54,;26.25,-28.23,;24.9,-28.98,;24.86,-30.5,;23.59,-28.19,;23.62,-26.64,;24.96,-25.91,;24.98,-24.35,;23.65,-23.55,;26.31,-23.61,;22.23,-28.94,;20.92,-28.16,;20.96,-26.6,;19.57,-28.9,;19.53,-30.43,;20.86,-31.24,;22.22,-30.47,;23.54,-31.25,;23.52,-32.79,;22.17,-33.55,;20.85,-32.75,;18.26,-28.12,;16.9,-28.87,;16.87,-30.39,;15.59,-28.08,;15.63,-26.53,;14.24,-28.83,;12.93,-28.05,;12.96,-26.49,;11.57,-28.79,;11.55,-30.32,;12.87,-31.13,;12.84,-32.64,;14.23,-30.37,;10.26,-28,;8.91,-28.74,;8.88,-30.28,;7.6,-27.95,;7.7,-26.41,;6.06,-26.05,;5.21,-27.5,;6.32,-28.76,;6.1,-30.28,;7.31,-31.24,;4.68,-30.86,;3.47,-29.91,;2.04,-30.48,;.73,-29.66,;-.45,-30.64,;.12,-32.07,;-.56,-33.45,;.3,-34.73,;1.84,-34.63,;2.51,-33.24,;1.66,-31.97,;4.46,-32.38,;5.67,-33.33,;7.09,-32.76,;5.45,-34.86,;4.02,-35.43,;3.8,-36.95,;4.9,-38.02,;4.22,-39.4,;2.7,-39.18,;1.51,-40.17,;.07,-39.64,;-.19,-38.12,;.99,-37.14,;2.44,-37.67,;6.66,-35.81,;8.08,-35.24,;8.3,-33.71,;9.29,-36.19,;10.72,-35.61,;9.07,-37.71,;7.65,-38.28,;6.44,-37.33,;7.43,-39.81,;32.89,-29.09,;32.86,-30.61,;34.25,-28.34,;35.56,-29.12,;35.52,-30.65,;36.85,-31.45,;36.83,-32.97,;38.21,-30.7,;36.91,-28.38,;36.94,-26.82,;38.22,-29.16,;39.58,-28.41,;39.61,-26.86,;40.95,-26.12,;40.97,-24.56,;42.31,-23.83,;42.34,-22.28,;41.01,-21.47,;43.67,-21.54,;40.89,-29.2,;42.24,-28.45,;40.85,-30.72,)| Show InChI InChI=1S/C75H105N17O17/c1-39(2)30-54(90-72(106)60-25-17-29-92(60)73(107)59(35-46-38-81-51-23-15-13-21-48(46)51)91-71(105)58(88-65(99)49(76)36-62(95)96)34-45-37-80-50-22-14-12-20-47(45)50)67(101)83-43(8)64(98)87-57(33-44-18-10-9-11-19-44)70(104)84-52(26-27-61(93)94)66(100)82-42(7)63(97)86-55(31-40(3)4)69(103)89-56(32-41(5)6)68(102)85-53(74(108)109)24-16-28-79-75(77)78/h9-15,18-23,37-43,49,52-60,80-81H,16-17,24-36,76H2,1-8H3,(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,97)(H,87,98)(H,88,99)(H,89,103)(H,90,106)(H,91,105)(H,93,94)(H,95,96)(H,108,109)(H4,77,78,79)/t42-,43-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by...				J Med Chem 55: 6237-41 (2012) Article DOI: 10.1021/jm3005465 BindingDB Entry DOI: 10.7270/Q20P1143
					More data for this Ligand-Target Pair