BDBM50519056 CHEMBL4460632

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

InChI Key: InChIKey=FJKSATVQWJHREF-VIFPVBQESA-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 = 50519056   

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))	BDBM50519056 (CHEMBL4460632) Show SMILES CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F3N3O2S/c1-3-12-13(10-5-4-6-11(7-10)18(19,20)21)14-15(24-9(2)17(25)26)22-8-23-16(14)27-12/h4-9H,3H2,1-2H3,(H,25,26)(H,22,23,24)/t9-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519056 (CHEMBL4460632) Show SMILES CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F3N3O2S/c1-3-12-13(10-5-4-6-11(7-10)18(19,20)21)14-15(24-9(2)17(25)26)22-8-23-16(14)27-12/h4-9H,3H2,1-2H3,(H,25,26)(H,22,23,24)/t9-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.37E+5	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