BDBM50519051 CHEMBL4452148

SMILES: CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C

InChI Key: InChIKey=MVZYIPCJBOOBGD-GOSISDBHSA-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 = 50519051   

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))	BDBM50519051 (CHEMBL4452148) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(57.1,-14.15,;56.33,-12.81,;54.79,-12.81,;53.89,-14.06,;52.42,-13.59,;51.09,-14.36,;49.75,-13.59,;49.75,-12.05,;51.08,-11.28,;51.08,-9.74,;49.75,-8.97,;49.74,-7.43,;48.41,-6.66,;48.42,-5.12,;47.08,-4.36,;45.75,-5.13,;45.76,-6.68,;47.09,-7.44,;48.41,-9.74,;47.08,-8.98,;48.42,-11.28,;52.42,-12.04,;53.89,-11.57,;54.35,-10.1,;53.33,-8.97,;53.8,-7.51,;55.31,-7.18,;56.34,-8.32,;57.84,-7.99,;55.87,-9.78,;56.9,-10.93,)| Show InChI InChI=1S/C24H21ClN2O3S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)30-18(24(28)29)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	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))	BDBM50519051 (CHEMBL4452148) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(57.1,-14.15,;56.33,-12.81,;54.79,-12.81,;53.89,-14.06,;52.42,-13.59,;51.09,-14.36,;49.75,-13.59,;49.75,-12.05,;51.08,-11.28,;51.08,-9.74,;49.75,-8.97,;49.74,-7.43,;48.41,-6.66,;48.42,-5.12,;47.08,-4.36,;45.75,-5.13,;45.76,-6.68,;47.09,-7.44,;48.41,-9.74,;47.08,-8.98,;48.42,-11.28,;52.42,-12.04,;53.89,-11.57,;54.35,-10.1,;53.33,-8.97,;53.8,-7.51,;55.31,-7.18,;56.34,-8.32,;57.84,-7.99,;55.87,-9.78,;56.9,-10.93,)| Show InChI InChI=1S/C24H21ClN2O3S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)30-18(24(28)29)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+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 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