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SMILES: Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(C(O)=O)c(c1)N1CCOCC1

InChI Key: InChIKey=MHLVJSFOURGHKE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 428998   

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))	BDBM428998 (US10533010, Example I-91 | US11208415, Example I-9...) Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(C(O)=O)c(c1)N1CCOCC1 |(-2.56,5.31,;-3.89,6.08,;-4.37,7.54,;-5.91,7.54,;-6.68,8.88,;-6.38,6.08,;-7.72,5.31,;-5.14,5.17,;-5.14,3.63,;-6.47,2.86,;-7.81,3.63,;-6.47,1.32,;-5.14,.55,;-3.8,1.32,;-2.34,.85,;-1.94,-.64,;-.45,-1.04,;-.06,-2.53,;1.43,-2.93,;1.83,-4.41,;3.32,-4.81,;3.72,-6.3,;5.2,-6.7,;2.63,-7.39,;3.03,-8.88,;1.14,-6.99,;.05,-8.08,;.74,-5.5,;-1.43,2.09,;-2.34,3.34,;-3.8,2.86,;.11,2.09,;.88,.76,;.88,3.43,;2.42,3.43,;3.19,2.09,;4.73,2.09,;5.55,3.43,;7.09,3.43,;7.86,2.09,;7.86,4.76,;4.73,4.76,;3.19,4.76,;5.5,6.09,;7.04,6.09,;7.81,7.43,;7.04,8.76,;5.5,8.76,;4.73,7.43,)| Show InChI InChI=1S/C37H39Cl2N5O5/c1-20-17-25(18-21(2)33(20)39)49-14-6-7-26-27-10-11-29(38)32(31-22(3)42-43(5)23(31)4)34(27)41-35(26)36(45)40-24-8-9-28(37(46)47)30(19-24)44-12-15-48-16-13-44/h8-11,17-19,41H,6-7,12-16H2,1-5H3,(H,40,45)(H,46,47)	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))	BDBM428998 (US10533010, Example I-91 | US11208415, Example I-9...) Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(C(O)=O)c(c1)N1CCOCC1 |(-2.56,5.31,;-3.89,6.08,;-4.37,7.54,;-5.91,7.54,;-6.68,8.88,;-6.38,6.08,;-7.72,5.31,;-5.14,5.17,;-5.14,3.63,;-6.47,2.86,;-7.81,3.63,;-6.47,1.32,;-5.14,.55,;-3.8,1.32,;-2.34,.85,;-1.94,-.64,;-.45,-1.04,;-.06,-2.53,;1.43,-2.93,;1.83,-4.41,;3.32,-4.81,;3.72,-6.3,;5.2,-6.7,;2.63,-7.39,;3.03,-8.88,;1.14,-6.99,;.05,-8.08,;.74,-5.5,;-1.43,2.09,;-2.34,3.34,;-3.8,2.86,;.11,2.09,;.88,.76,;.88,3.43,;2.42,3.43,;3.19,2.09,;4.73,2.09,;5.55,3.43,;7.09,3.43,;7.86,2.09,;7.86,4.76,;4.73,4.76,;3.19,4.76,;5.5,6.09,;7.04,6.09,;7.81,7.43,;7.04,8.76,;5.5,8.76,;4.73,7.43,)| Show InChI InChI=1S/C37H39Cl2N5O5/c1-20-17-25(18-21(2)33(20)39)49-14-6-7-26-27-10-11-29(38)32(31-22(3)42-43(5)23(31)4)34(27)41-35(26)36(45)40-24-8-9-28(37(46)47)30(19-24)44-12-15-48-16-13-44/h8-11,17-19,41H,6-7,12-16H2,1-5H3,(H,40,45)(H,46,47)	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