BDBM50265707 (2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,29S)-32-amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di-sec-butyl-14-(3-chlorobenzyl)-20-(3-guanidinopropyl)-26-isopropyl-11-methyl-4,7,10,13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontanamido)-5-(2-amino-2-oxoethyl)-8-sec-butyl-11-(carboxymethyl)-2-(3-guanidinopropyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazahexadecane-1,16-dioic acid::CHEMBL525638

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(Cl)c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=GMRJKAGIEVXJKT-NPRMZDRQSA-N

Data: 1 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 1 hit for monomerid = 50265707   

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))	BDBM50265707 ((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(Cl)c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C75H122ClN25O24/c1-10-35(6)58(70(121)88-33-54(107)92-47(29-55(108)109)67(118)96-48(30-56(110)111)68(119)100-59(36(7)11-2)71(122)97-46(28-51(80)104)66(117)94-44(73(124)125)19-15-25-86-75(83)84)101-72(123)60(37(8)12-3)99-61(112)38(9)89-65(116)45(27-39-16-13-17-40(76)26-39)95-63(114)43(21-23-50(79)103)93-62(113)41(18-14-24-85-74(81)82)91-53(106)32-87-69(120)57(34(4)5)98-64(115)42(20-22-49(78)102)90-52(105)31-77/h13,16-17,26,34-38,41-48,57-60H,10-12,14-15,18-25,27-33,77H2,1-9H3,(H2,78,102)(H2,79,103)(H2,80,104)(H,87,120)(H,88,121)(H,89,116)(H,90,105)(H,91,106)(H,92,107)(H,93,113)(H,94,117)(H,95,114)(H,96,118)(H,97,122)(H,98,115)(H,99,112)(H,100,119)(H,101,123)(H,108,109)(H,110,111)(H,124,125)(H4,81,82,85)(H4,83,84,86)/t35-,36-,37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,57-,58-,59-,60-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	359	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay				Eur J Med Chem 43: 966-72 (2008) Article DOI: 10.1016/j.ejmech.2007.06.008 BindingDB Entry DOI: 10.7270/Q2NS0TNW
					More data for this Ligand-Target Pair