BDBM50261501 CHEMBL4060912

SMILES: COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=BGVWDINPRHXDRI-DHUJRADRSA-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 = 50261501   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50261501 (CHEMBL4060912) Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C39H33ClN4O7S/c1-25-32(33-22-30(51-2)17-20-36(33)43(25)29-15-13-28(14-16-29)27-11-7-4-8-12-27)24-38(45)41-35(21-26-9-5-3-6-10-26)39(46)42-52(49,50)31-18-19-34(40)37(23-31)44(47)48/h3-20,22-23,35H,21,24H2,1-2H3,(H,41,45)(H,42,46)/t35-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	480	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50261501 (CHEMBL4060912) Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C39H33ClN4O7S/c1-25-32(33-22-30(51-2)17-20-36(33)43(25)29-15-13-28(14-16-29)27-11-7-4-8-12-27)24-38(45)41-35(21-26-9-5-3-6-10-26)39(46)42-52(49,50)31-18-19-34(40)37(23-31)44(47)48/h3-20,22-23,35H,21,24H2,1-2H3,(H,41,45)(H,42,46)/t35-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	580	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