BDBM21444 N-Benylpiperazine derivative, 23m::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-(4-{[2-(4-methoxyphenyl)phenyl]methyl}piperazin-1-yl)benzamide

SMILES: COc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=MZFYCZAOGZJWFS-PGUFJCEWSA-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 = 21444   

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))	BDBM21444 (N-Benylpiperazine derivative, 23m | N-[(4-{[(2R)-4...) Show SMILES COc1ccc(cc1)-c1ccccc1CN1CCN(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/C43H48N6O6S2/c1-46(2)24-23-35(31-56-38-10-5-4-6-11-38)44-41-22-21-39(29-42(41)49(51)52)57(53,54)45-43(50)33-13-17-36(18-14-33)48-27-25-47(26-28-48)30-34-9-7-8-12-40(34)32-15-19-37(55-3)20-16-32/h4-22,29,35,44H,23-28,30-31H2,1-3H3,(H,45,50)/t35-/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	<0.5	n/a	<60	n/a	30	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21444 (N-Benylpiperazine derivative, 23m | N-[(4-{[(2R)-4...) Show SMILES COc1ccc(cc1)-c1ccccc1CN1CCN(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/C43H48N6O6S2/c1-46(2)24-23-35(31-56-38-10-5-4-6-11-38)44-41-22-21-39(29-42(41)49(51)52)57(53,54)45-43(50)33-13-17-36(18-14-33)48-27-25-47(26-28-48)30-34-9-7-8-12-40(34)32-15-19-37(55-3)20-16-32/h4-22,29,35,44H,23-28,30-31H2,1-3H3,(H,45,50)/t35-/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	25	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))	BDBM21444 (N-Benylpiperazine derivative, 23m | N-[(4-{[(2R)-4...) Show SMILES COc1ccc(cc1)-c1ccccc1CN1CCN(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/C43H48N6O6S2/c1-46(2)24-23-35(31-56-38-10-5-4-6-11-38)44-41-22-21-39(29-42(41)49(51)52)57(53,54)45-43(50)33-13-17-36(18-14-33)48-27-25-47(26-28-48)30-34-9-7-8-12-40(34)32-15-19-37(55-3)20-16-32/h4-22,29,35,44H,23-28,30-31H2,1-3H3,(H,45,50)/t35-/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	30.0	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