BDBM227651 6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluorophenyl)ethyl]-7- [(trans-4- methylcyclohexyl)methyl]- 7h-purine-2-carboxylic acid (enantiomer 1)::US9540377, 23.66::US9540377, 23.67

SMILES: C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1

InChI Key: InChIKey=VKSZBMNCNZFIIR-FTKIHKAUSA-N

Data: 2 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 = 227651   

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
p53-binding protein Mdm2 (Homo sapiens (Human))	BDBM227651 (6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluoro...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.57,-3.25,;5.09,-2.85,;4.69,-1.36,;3.2,-.96,;2.11,-2.05,;.62,-1.65,;.23,-.17,;1.13,1.08,;.23,2.33,;-1.24,1.85,;-2.57,2.62,;-3.91,1.85,;-3.91,.31,;-2.57,-.46,;-2.57,-2,;-1.24,-2.77,;-1.24,-4.31,;-2.57,-5.08,;-3.91,-4.31,;-5.24,-5.08,;-3.91,-2.77,;-1.24,.31,;-5.24,2.62,;-6.57,1.85,;-5.24,4.16,;2.8,1.08,;3.57,-.25,;4.34,1.08,;3.57,2.41,;5.11,2.41,;5.88,3.75,;5.11,5.08,;3.57,5.08,;2.8,3.75,;1.26,3.75,;2.51,-3.54,;4,-3.94,)| Show InChI InChI=1S/C27H26ClF2N5O2/c1-15-7-9-16(10-8-15)14-35-22-21(17-11-18(28)13-31-12-17)32-24(25(36)37)33-23(22)34-26(35)27(2,30)19-5-3-4-6-20(19)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37)/t15-,16-,27?	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.176	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
p53-binding protein Mdm2 (Homo sapiens (Human))	BDBM227651 (6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluoro...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.57,-3.25,;5.09,-2.85,;4.69,-1.36,;3.2,-.96,;2.11,-2.05,;.62,-1.65,;.23,-.17,;1.13,1.08,;.23,2.33,;-1.24,1.85,;-2.57,2.62,;-3.91,1.85,;-3.91,.31,;-2.57,-.46,;-2.57,-2,;-1.24,-2.77,;-1.24,-4.31,;-2.57,-5.08,;-3.91,-4.31,;-5.24,-5.08,;-3.91,-2.77,;-1.24,.31,;-5.24,2.62,;-6.57,1.85,;-5.24,4.16,;2.8,1.08,;3.57,-.25,;4.34,1.08,;3.57,2.41,;5.11,2.41,;5.88,3.75,;5.11,5.08,;3.57,5.08,;2.8,3.75,;1.26,3.75,;2.51,-3.54,;4,-3.94,)| Show InChI InChI=1S/C27H26ClF2N5O2/c1-15-7-9-16(10-8-15)14-35-22-21(17-11-18(28)13-31-12-17)32-24(25(36)37)33-23(22)34-26(35)27(2,30)19-5-3-4-6-20(19)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37)/t15-,16-,27?	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.82	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair