BDBM50525271 CHEMBL4519497

SMILES: O=C1N=C2C3C=CC=C4C3C(=CC=C4N3CCSCC3)C2=C1C#N

InChI Key: InChIKey=GESSOJAUHWSJSK-UHFFFAOYSA-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 = 50525271   

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))	BDBM50525271 (CHEMBL4519497) Show SMILES O=C1N=C2C3C=CC=C4C3C(=CC=C4N3CCSCC3)C2=C1C#N |c:5,7,11,13,24,t:2| Show InChI InChI=1S/C19H15N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5,13,16H,6-9H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of MCl-1 (unknown origin)				Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50525271 (CHEMBL4519497) Show SMILES O=C1N=C2C3C=CC=C4C3C(=CC=C4N3CCSCC3)C2=C1C#N |c:5,7,11,13,24,t:2| Show InChI InChI=1S/C19H15N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5,13,16H,6-9H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of Bcl2 (unknown origin)				Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019
					More data for this Ligand-Target Pair