BDBM50424204 CHEMBL2312475

SMILES: CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34

InChI Key: InChIKey=XWZAPHLZFDMUHL-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

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 4 hits for monomerid = 50424204   

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))	BDBM50424204 (CHEMBL2312475) Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)	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	162	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424204 (CHEMBL2312475) Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)	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	n/a	802	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424204 (CHEMBL2312475) Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424204 (CHEMBL2312475) Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair