BDBM354648 (1r,4r)-4-{[(tert-Butoxy)carbonyl]amino}cyclohexyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1,5-dimethyl-1H-pyrrol-2-yl}-7-[(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxylate::US9809574, Example 800

SMILES: C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=RJTHKAVOHUCJON-BEZWTFHHSA-N

Data: 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 1 hit for monomerid = 354648   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM354648 ((1r,4r)-4-{[(tert-Butoxy)carbonyl]amino}cyclohexyl...) Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C |wU:1.0,44.49,wD:47.56,(-1.84,1.24,;-3.17,2.01,;-3.17,3.55,;-4.5,4.32,;-4.5,5.86,;-5.84,6.63,;-7.17,5.86,;-7.17,4.32,;-5.84,3.55,;-5.84,2.01,;-4.5,1.24,;-4.5,-.3,;-5.84,-1.07,;-3.17,-1.07,;-1.84,-.3,;-.5,-1.07,;.83,-.3,;2.17,-1.07,;2.17,-2.61,;.83,-3.38,;-.5,-2.61,;-1.84,-3.38,;-3.17,-2.61,;-4.5,-3.38,;-5.91,-2.75,;-6.94,-3.89,;-8.47,-3.73,;-9.1,-2.33,;-9.38,-4.98,;-8.75,-6.39,;-10.91,-4.82,;-11.81,-6.06,;-13.34,-5.9,;-13.97,-4.5,;-15.5,-4.33,;-13.07,-3.25,;-11.53,-3.41,;-6.17,-5.23,;-6.8,-6.63,;-4.66,-4.91,;-3.52,-5.94,;3.5,-.3,;3.5,1.24,;4.83,-1.07,;6.17,-.3,;6.17,1.24,;7.5,2.01,;8.83,1.24,;8.83,-.3,;7.5,-1.07,;10.17,2.01,;11.5,1.24,;11.5,-.3,;12.84,2.01,;14.17,1.24,;15.5,2.01,;15.5,.47,;14.17,-.3,)| Show InChI InChI=1S/C46H55N5O7/c1-28-22-30-10-8-9-11-32(30)27-51(28)43(54)40-24-33-26-50(45(56)57-37-18-12-34(13-19-37)47-44(55)58-46(3,4)5)21-20-31(33)23-39(40)41-25-38(29(2)48(41)6)42(53)49(7)35-14-16-36(52)17-15-35/h8-11,14-17,23-25,28,34,37,52H,12-13,18-22,26-27H2,1-7H3,(H,47,55)/t28-,34-,37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...				US Patent US9809574 (2017) BindingDB Entry DOI: 10.7270/Q2MP55DF
					More data for this Ligand-Target Pair