BDBM286515 3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(hydroxymethyl)-1,5-dimethyl-1H-pyrazol-4-yl)-N-(m-tolylsulfonyl)-1H-indole-2-carboxamide::US10093640, Example 204::US10844032, Example 204

SMILES: Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(C)c1

InChI Key: InChIKey=NCOREYNSADLEDC-UHFFFAOYSA-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 = 286515   

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 (aa 172-327) (Homo sapiens (Human))	BDBM286515 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(h...) Show SMILES Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(C)c1 |(-1.46,-5.28,;-2.83,-6.07,;-4.12,-5.14,;-5.4,-6.07,;-6.77,-5.28,;-8.15,-6.07,;-4.91,-7.58,;-3.32,-7.58,;-2.53,-8.95,;-4.12,-3.55,;-5.45,-2.78,;-5.45,-1.24,;-4.12,-.47,;-2.78,-1.24,;-1.32,-.77,;-.92,.72,;.57,1.12,;.97,2.6,;2.45,3,;2.85,4.49,;1.76,5.58,;2.16,7.07,;1.07,8.16,;3.65,7.47,;4.05,8.95,;4.74,6.38,;6.22,6.77,;4.34,4.89,;-.41,-2.01,;-1.32,-3.26,;-2.78,-2.78,;1.13,-2.01,;1.9,-3.35,;1.9,-.68,;3.44,-.68,;3.44,-2.22,;3.44,.86,;4.98,-.68,;5.77,.69,;7.35,.69,;8.15,-.68,;7.35,-2.05,;8.15,-3.43,;5.77,-2.05,)| Show InChI InChI=1S/C33H35ClN4O5S/c1-19-9-6-10-24(15-19)44(41,42)37-33(40)32-26(13-8-14-43-23-16-20(2)30(34)21(3)17-23)25-11-7-12-27(31(25)35-32)29-22(4)38(5)36-28(29)18-39/h6-7,9-12,15-17,35,39H,8,13-14,18H2,1-5H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020)
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM286515 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(h...) Show SMILES Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(C)c1 |(-1.46,-5.28,;-2.83,-6.07,;-4.12,-5.14,;-5.4,-6.07,;-6.77,-5.28,;-8.15,-6.07,;-4.91,-7.58,;-3.32,-7.58,;-2.53,-8.95,;-4.12,-3.55,;-5.45,-2.78,;-5.45,-1.24,;-4.12,-.47,;-2.78,-1.24,;-1.32,-.77,;-.92,.72,;.57,1.12,;.97,2.6,;2.45,3,;2.85,4.49,;1.76,5.58,;2.16,7.07,;1.07,8.16,;3.65,7.47,;4.05,8.95,;4.74,6.38,;6.22,6.77,;4.34,4.89,;-.41,-2.01,;-1.32,-3.26,;-2.78,-2.78,;1.13,-2.01,;1.9,-3.35,;1.9,-.68,;3.44,-.68,;3.44,-2.22,;3.44,.86,;4.98,-.68,;5.77,.69,;7.35,.69,;8.15,-.68,;7.35,-2.05,;8.15,-3.43,;5.77,-2.05,)| Show InChI InChI=1S/C33H35ClN4O5S/c1-19-9-6-10-24(15-19)44(41,42)37-33(40)32-26(13-8-14-43-23-16-20(2)30(34)21(3)17-23)25-11-7-12-27(31(25)35-32)29-22(4)38(5)36-28(29)18-39/h6-7,9-12,15-17,35,39H,8,13-14,18H2,1-5H3,(H,37,40)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG 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 US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair