null

SMILES: Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(Cl)n4)CCCn3c12

InChI Key: InChIKey=BVUGFTROUTUAFQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 429171   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM429171 (US10533010, Example I-298 | US11208415, Example I-...) Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(Cl)n4)CCCn3c12 |(-2.57,4.79,;-3.9,5.56,;-4.38,7.03,;-5.92,7.03,;-6.69,8.36,;-6.39,5.56,;-7.73,4.79,;-5.15,4.66,;-5.15,3.12,;-6.48,2.35,;-7.81,3.12,;-6.48,.81,;-5.15,.04,;-3.81,.81,;-2.35,.33,;-1.95,-1.16,;-.46,-1.56,;-.06,-3.04,;1.42,-3.44,;1.82,-4.93,;3.31,-5.33,;3.71,-6.82,;5.2,-7.21,;2.62,-7.91,;3.02,-9.39,;1.13,-7.51,;.04,-8.6,;.73,-6.02,;-1.44,1.58,;.1,1.58,;.87,.24,;1.11,2.74,;2.6,2.34,;3.74,3.37,;3.42,4.87,;4.55,5.96,;4.23,7.46,;5.38,8.49,;6.84,8.02,;6.03,5.43,;6.35,3.92,;7.81,3.45,;5.21,2.89,;.83,4.25,;-.52,4.98,;-1.94,4.38,;-2.35,2.82,;-3.81,2.35,)| Show InChI InChI=1S/C36H36Cl3N5O4/c1-20-14-25(15-21(2)33(20)39)47-13-6-8-27-28-9-10-29(37)32(31-22(3)41-42(5)23(31)4)34(28)44-12-7-11-43(36(46)35(27)44)18-24-16-26(48-19-45)17-30(38)40-24/h9-10,14-17,19H,6-8,11-13,18H2,1-5H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9G8J
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM429171 (US10533010, Example I-298 | US11208415, Example I-...) Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(Cl)n4)CCCn3c12 |(-2.57,4.79,;-3.9,5.56,;-4.38,7.03,;-5.92,7.03,;-6.69,8.36,;-6.39,5.56,;-7.73,4.79,;-5.15,4.66,;-5.15,3.12,;-6.48,2.35,;-7.81,3.12,;-6.48,.81,;-5.15,.04,;-3.81,.81,;-2.35,.33,;-1.95,-1.16,;-.46,-1.56,;-.06,-3.04,;1.42,-3.44,;1.82,-4.93,;3.31,-5.33,;3.71,-6.82,;5.2,-7.21,;2.62,-7.91,;3.02,-9.39,;1.13,-7.51,;.04,-8.6,;.73,-6.02,;-1.44,1.58,;.1,1.58,;.87,.24,;1.11,2.74,;2.6,2.34,;3.74,3.37,;3.42,4.87,;4.55,5.96,;4.23,7.46,;5.38,8.49,;6.84,8.02,;6.03,5.43,;6.35,3.92,;7.81,3.45,;5.21,2.89,;.83,4.25,;-.52,4.98,;-1.94,4.38,;-2.35,2.82,;-3.81,2.35,)| Show InChI InChI=1S/C36H36Cl3N5O4/c1-20-14-25(15-21(2)33(20)39)47-13-6-8-27-28-9-10-29(37)32(31-22(3)41-42(5)23(31)4)34(28)44-12-7-11-43(36(46)35(27)44)18-24-16-26(48-19-45)17-30(38)40-24/h9-10,14-17,19H,6-8,11-13,18H2,1-5H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10533010 (2020) BindingDB Entry DOI: 10.7270/Q2T72KVG
					More data for this Ligand-Target Pair