BDBM50140247 CHEMBL3754255

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]1CNC[C@@H]1NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

InChI Key: InChIKey=KPPOPZJIJJYZDH-ITDLYESQSA-N

Data: 1 KI

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 = 50140247   

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))	BDBM50140247 (CHEMBL3754255) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]1CNC[C@@H]1NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C80H131N25O19/c1-40(2)32-56(72(118)91-39-63(108)95-60(36-64(109)110)75(121)93-43(6)67(113)102-58(34-45-18-9-8-10-19-45)77(123)105-59(35-62(82)107)78(124)99-53(65(83)111)27-16-30-89-79(84)85)104-74(120)54(23-11-12-29-81)100-69(115)47-21-14-26-52(47)98-76(122)57(33-41(3)4)103-70(116)48-22-15-25-51(48)97-73(119)55(28-17-31-90-80(86)87)101-68(114)46-20-13-24-50(46)96-66(112)42(5)92-71(117)49-37-88-38-61(49)94-44(7)106/h8-10,18-19,40-43,46-61,88H,11-17,20-39,81H2,1-7H3,(H2,82,107)(H2,83,111)(H,91,118)(H,92,117)(H,93,121)(H,94,106)(H,95,108)(H,96,112)(H,97,119)(H,98,122)(H,99,124)(H,100,115)(H,101,114)(H,102,113)(H,103,116)(H,104,120)(H,105,123)(H,109,110)(H4,84,85,89)(H4,86,87,90)/t42-,43-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/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	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of BCL-xL-BH3 domain (unknown origin) interaction				Bioorg Med Chem Lett 26: 707-13 (2016) BindingDB Entry DOI: 10.7270/Q2668G28
					More data for this Ligand-Target Pair