BDBM21422 4-Alkyl-4-methoxypiperidine derivative, 8n::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-{4-methoxy-4-[(4-phenylphenyl)methyl]piperidin-1-yl}benzamide

SMILES: COC1(Cc2ccc(cc2)-c2ccccc2)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=OFNZVEACOGKFQD-DIPNUNPCSA-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 = 21422   

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))	BDBM21422 (4-Alkyl-4-methoxypiperidine derivative, 8n | N-[(4...) Show SMILES COC1(Cc2ccc(cc2)-c2ccccc2)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/C44H49N5O6S2/c1-47(2)27-24-37(32-56-39-12-8-5-9-13-39)45-41-23-22-40(30-42(41)49(51)52)57(53,54)46-43(50)36-18-20-38(21-19-36)48-28-25-44(55-3,26-29-48)31-33-14-16-35(17-15-33)34-10-6-4-7-11-34/h4-23,30,37,45H,24-29,31-32H2,1-3H3,(H,46,50)/t37-/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	0.900	-12.3	160	n/a	600	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))	BDBM21422 (4-Alkyl-4-methoxypiperidine derivative, 8n | N-[(4...) Show SMILES COC1(Cc2ccc(cc2)-c2ccccc2)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/C44H49N5O6S2/c1-47(2)27-24-37(32-56-39-12-8-5-9-13-39)45-41-23-22-40(30-42(41)49(51)52)57(53,54)46-43(50)36-18-20-38(21-19-36)48-28-25-44(55-3,26-29-48)31-33-14-16-35(17-15-33)34-10-6-4-7-11-34/h4-23,30,37,45H,24-29,31-32H2,1-3H3,(H,46,50)/t37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	1.10E+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))	BDBM21422 (4-Alkyl-4-methoxypiperidine derivative, 8n | N-[(4...) Show SMILES COC1(Cc2ccc(cc2)-c2ccccc2)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/C44H49N5O6S2/c1-47(2)27-24-37(32-56-39-12-8-5-9-13-39)45-41-23-22-40(30-42(41)49(51)52)57(53,54)46-43(50)36-18-20-38(21-19-36)48-28-25-44(55-3,26-29-48)31-33-14-16-35(17-15-33)34-10-6-4-7-11-34/h4-23,30,37,45H,24-29,31-32H2,1-3H3,(H,46,50)/t37-/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	600	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