BDBM21425 4-Piperidinebenzylidene derivative, 10d::4-{4-[(4-chlorophenyl)methylidene]piperidin-1-yl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide

SMILES: [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1

InChI Key: InChIKey=ICIOZGCFQLUXKY-WJOKGBTCSA-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 = 21425   

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))	BDBM21425 (4-Piperidinebenzylidene derivative, 10d | 4-{4-[(4...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/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	<-12.7	510	n/a	620	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))	BDBM21425 (4-Piperidinebenzylidene derivative, 10d | 4-{4-[(4...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	1.18E+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))	BDBM21425 (4-Piperidinebenzylidene derivative, 10d | 4-{4-[(4...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/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	619	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