BDBM38101 3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3,5-dimethylisoxazol-4-yl)-N-(phenylsulfonyl)-1H-indole-2-carboxamide::US10093640, Example 88::US10844032, Example 88

SMILES: Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=ASNFVNZYXGVLQU-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 = 38101   

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))	BDBM38101 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3,5-...) Show SMILES Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.45,-6.66,;-2.78,-7.43,;-3.26,-8.9,;-4.8,-8.9,;-5.27,-7.43,;-6.61,-6.66,;-4.03,-6.53,;-4.03,-4.99,;-5.36,-4.22,;-5.36,-2.68,;-4.03,-1.91,;-2.69,-2.68,;-1.23,-2.2,;-.83,-.72,;-1.92,.37,;-1.52,1.86,;-2.61,2.95,;-2.21,4.44,;-3.3,5.53,;-2.9,7.01,;-3.99,8.1,;-1.41,7.41,;-1.02,8.9,;-.32,6.32,;1.16,6.72,;-.72,4.84,;-.32,-3.45,;-1.23,-4.7,;-2.69,-4.22,;1.22,-3.45,;1.99,-2.12,;1.99,-4.78,;3.53,-4.78,;4.3,-3.45,;3.53,-3.24,;4.3,-6.12,;3.53,-7.45,;4.3,-8.78,;5.84,-8.78,;6.61,-7.45,;5.84,-6.12,)| Show InChI InChI=1S/C22H30N4O2/c1-2-19-11-6-7-15-25(19)16-8-14-23-21(27)17-26-22(28)13-12-20(24-26)18-9-4-3-5-10-18/h3-5,9-10,12-13,19H,2,6-8,11,14-17H2,1H3,(H,23,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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))	BDBM38101 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3,5-...) Show SMILES Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.45,-6.66,;-2.78,-7.43,;-3.26,-8.9,;-4.8,-8.9,;-5.27,-7.43,;-6.61,-6.66,;-4.03,-6.53,;-4.03,-4.99,;-5.36,-4.22,;-5.36,-2.68,;-4.03,-1.91,;-2.69,-2.68,;-1.23,-2.2,;-.83,-.72,;-1.92,.37,;-1.52,1.86,;-2.61,2.95,;-2.21,4.44,;-3.3,5.53,;-2.9,7.01,;-3.99,8.1,;-1.41,7.41,;-1.02,8.9,;-.32,6.32,;1.16,6.72,;-.72,4.84,;-.32,-3.45,;-1.23,-4.7,;-2.69,-4.22,;1.22,-3.45,;1.99,-2.12,;1.99,-4.78,;3.53,-4.78,;4.3,-3.45,;3.53,-3.24,;4.3,-6.12,;3.53,-7.45,;4.3,-8.78,;5.84,-8.78,;6.61,-7.45,;5.84,-6.12,)| Show InChI InChI=1S/C22H30N4O2/c1-2-19-11-6-7-15-25(19)16-8-14-23-21(27)17-26-22(28)13-12-20(24-26)18-9-4-3-5-10-18/h3-5,9-10,12-13,19H,2,6-8,11,14-17H2,1H3,(H,23,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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