BDBM50126112 CHEMBL3627750

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=CKSRAOBUGISLEI-WYDXDUKVSA-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 = 50126112   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126112 (CHEMBL3627750) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,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	PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126112 (CHEMBL3627750) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,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	PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair