BDBM50261488 CHEMBL4080450

SMILES: COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=FSBNKYLJYHSZQQ-BHVANESWSA-N

Data: 2 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 2 hits for monomerid = 50261488   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50261488 (CHEMBL4080450) Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C39H35N3O5S/c1-27-34(35-25-32(47-2)22-23-37(35)42(27)31-20-18-30(19-21-31)29-14-8-4-9-15-29)26-38(43)40-36(24-28-12-6-3-7-13-28)39(44)41-48(45,46)33-16-10-5-11-17-33/h3-23,25,36H,24,26H2,1-2H3,(H,40,43)(H,41,44)/t36-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...				Bioorg Med Chem 25: 5548-5556 (2017) Article DOI: 10.1016/j.bmc.2017.08.024 BindingDB Entry DOI: 10.7270/Q2FX7CX8
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50261488 (CHEMBL4080450) Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C39H35N3O5S/c1-27-34(35-25-32(47-2)22-23-37(35)42(27)31-20-18-30(19-21-31)29-14-8-4-9-15-29)26-38(43)40-36(24-28-12-6-3-7-13-28)39(44)41-48(45,46)33-16-10-5-11-17-33/h3-23,25,36H,24,26H2,1-2H3,(H,40,43)(H,41,44)/t36-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid-BH3 peptide binding to Mcl1 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...				Bioorg Med Chem 25: 5548-5556 (2017) Article DOI: 10.1016/j.bmc.2017.08.024 BindingDB Entry DOI: 10.7270/Q2FX7CX8
					More data for this Ligand-Target Pair