BDBM50261487 CHEMBL4098468

SMILES: COc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12

InChI Key: InChIKey=RVELPQFQFFFRHM-QNGWXLTQSA-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 = 50261487   

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))	BDBM50261487 (CHEMBL4098468) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12 |r| Show InChI InChI=1S/C40H37N3O6S/c1-27-35(36-25-33(49-3)20-23-38(36)43(27)31-16-14-30(15-17-31)29-12-8-5-9-13-29)26-39(44)41-37(24-28-10-6-4-7-11-28)40(45)42-50(46,47)34-21-18-32(48-2)19-22-34/h4-23,25,37H,24,26H2,1-3H3,(H,41,44)(H,42,45)/t37-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	470	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))	BDBM50261487 (CHEMBL4098468) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12 |r| Show InChI InChI=1S/C40H37N3O6S/c1-27-35(36-25-33(49-3)20-23-38(36)43(27)31-16-14-30(15-17-31)29-12-8-5-9-13-29)26-39(44)41-37(24-28-10-6-4-7-11-28)40(45)42-50(46,47)34-21-18-32(48-2)19-22-34/h4-23,25,37H,24,26H2,1-3H3,(H,41,44)(H,42,45)/t37-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	880	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