BDBM50393834 CHEMBL2159734

SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=WVRRDOBCERDMIK-WBVITSLISA-N

Data: 2 IC50

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 2 hits for monomerid = 50393834   

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))	BDBM50393834 (CHEMBL2159734) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C56H67ClN10O6S2/c1-40-52(56(69)58-26-10-27-64-31-29-62(4)30-32-64)53(54(63(40)5)41-15-19-44(57)20-16-41)43-11-9-12-47(37-43)66-35-33-65(34-36-66)46-21-17-42(18-22-46)55(68)60-75(72,73)49-23-24-50(51(38-49)67(70)71)59-45(25-28-61(2)3)39-74-48-13-7-6-8-14-48/h6-9,11-24,37-38,45,59H,10,25-36,39H2,1-5H3,(H,58,69)(H,60,68)/t45-/m1/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	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...				J Med Chem 55: 6149-61 (2012) Article DOI: 10.1021/jm300608w BindingDB Entry DOI: 10.7270/Q2J10485
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50393834 (CHEMBL2159734) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C56H67ClN10O6S2/c1-40-52(56(69)58-26-10-27-64-31-29-62(4)30-32-64)53(54(63(40)5)41-15-19-44(57)20-16-41)43-11-9-12-47(37-43)66-35-33-65(34-36-66)46-21-17-42(18-22-46)55(68)60-75(72,73)49-23-24-50(51(38-49)67(70)71)59-45(25-28-61(2)3)39-74-48-13-7-6-8-14-48/h6-9,11-24,37-38,45,59H,10,25-36,39H2,1-5H3,(H,58,69)(H,60,68)/t45-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...				J Med Chem 55: 6149-61 (2012) Article DOI: 10.1021/jm300608w BindingDB Entry DOI: 10.7270/Q2J10485
					More data for this Ligand-Target Pair