BDBM21411 4-Alkyl-4-methoxypiperidine derivative, 8b::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-[4-(2,2-dimethylpropyl)-4-methoxypiperidin-1-yl]benzamide

SMILES: COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=LTNBYBULDRYDLJ-MUUNZHRXSA-N

Data: 2 KI  1 IC50  3 EC50

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 3 hits for monomerid = 21411   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21411 (4-Alkyl-4-methoxypiperidine derivative, 8b | N-[(4...) Show SMILES COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C36H49N5O6S2/c1-35(2,3)26-36(47-6)19-22-40(23-20-36)29-14-12-27(13-15-29)34(42)38-49(45,46)31-16-17-32(33(24-31)41(43)44)37-28(18-21-39(4)5)25-48-30-10-8-7-9-11-30/h7-17,24,28,37H,18-23,25-26H2,1-6H3,(H,38,42)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60	-11.4	440	n/a	750	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21411 (4-Alkyl-4-methoxypiperidine derivative, 8b | N-[(4...) Show SMILES COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C36H49N5O6S2/c1-35(2,3)26-36(47-6)19-22-40(23-20-36)29-14-12-27(13-15-29)34(42)38-49(45,46)31-16-17-32(33(24-31)41(43)44)37-28(18-21-39(4)5)25-48-30-10-8-7-9-11-30/h7-17,24,28,37H,18-23,25-26H2,1-6H3,(H,38,42)/t28-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21411 (4-Alkyl-4-methoxypiperidine derivative, 8b | N-[(4...) Show SMILES COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C36H49N5O6S2/c1-35(2,3)26-36(47-6)19-22-40(23-20-36)29-14-12-27(13-15-29)34(42)38-49(45,46)31-16-17-32(33(24-31)41(43)44)37-28(18-21-39(4)5)25-48-30-10-8-7-9-11-30/h7-17,24,28,37H,18-23,25-26H2,1-6H3,(H,38,42)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Universit£ degli Studi di Palermo Curated by ChEMBL					Assay Description Inhibition of Bcl-XL				Eur J Med Chem 45: 4774-82 (2010) Article DOI: 10.1016/j.ejmech.2010.07.042 BindingDB Entry DOI: 10.7270/Q20K29TQ
					More data for this Ligand-Target Pair