BDBM50519048 CHEMBL4455822

SMILES: CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1

InChI Key: InChIKey=LAZOEPNCOREUPV-HSZRJFAPSA-N

Data: 3 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 3 hits for monomerid = 50519048   

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))	BDBM50519048 (CHEMBL4455822) Show SMILES CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H30FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h6,9-14,16-18,23H,2-5,7-8,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134
					More data for this Ligand-Target Pair
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human))	BDBM50519048 (CHEMBL4455822) Show SMILES CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H30FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h6,9-14,16-18,23H,2-5,7-8,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519048 (CHEMBL4455822) Show SMILES CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H30FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h6,9-14,16-18,23H,2-5,7-8,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134
					More data for this Ligand-Target Pair