BDBM50393835 CHEMBL2159733

SMILES: CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2ccccc2)-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=PUHZBGFCBZKWRB-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50393835   

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))	BDBM50393835 (CHEMBL2159733) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2ccccc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C27H33ClN4O/c1-20-24(27(33)29-14-7-15-32-18-16-30(2)17-19-32)25(21-8-5-4-6-9-21)26(31(20)3)22-10-12-23(28)13-11-22/h4-6,8-13H,7,14-19H2,1-3H3,(H,29,33)	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	8.80E+4	n/a	n/a	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))	BDBM50393835 (CHEMBL2159733) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2ccccc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C27H33ClN4O/c1-20-24(27(33)29-14-7-15-32-18-16-30(2)17-19-32)25(21-8-5-4-6-9-21)26(31(20)3)22-10-12-23(28)13-11-22/h4-6,8-13H,7,14-19H2,1-3H3,(H,29,33)	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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50393835 (CHEMBL2159733) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2ccccc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C27H33ClN4O/c1-20-24(27(33)29-14-7-15-32-18-16-30(2)17-19-32)25(21-8-5-4-6-9-21)26(31(20)3)22-10-12-23(28)13-11-22/h4-6,8-13H,7,14-19H2,1-3H3,(H,29,33)	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	2.91E+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