BDBM50519023 CHEMBL4437381

SMILES: CCc1sc2ncnc(N[C@H](Cc3ccccc3OC)C(O)=O)c2c1-c1cccc(Cl)c1C

InChI Key: InChIKey=NMXPPJNMGXWERA-GOSISDBHSA-N

Data: 1 KI  1 Kd

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 = 50519023   

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))	BDBM50519023 (CHEMBL4437381) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3OC)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(39.83,-31.86,;39.06,-30.53,;37.52,-30.53,;36.62,-31.78,;35.15,-31.3,;33.82,-32.08,;32.48,-31.31,;32.48,-29.76,;33.82,-28.99,;33.81,-27.45,;32.48,-26.69,;32.48,-25.15,;31.14,-24.38,;29.82,-25.15,;28.49,-24.39,;28.48,-22.84,;29.81,-22.07,;31.15,-22.84,;32.48,-22.07,;33.81,-22.84,;31.15,-27.46,;29.81,-26.69,;31.15,-29,;35.15,-29.76,;36.62,-29.28,;37.09,-27.82,;36.06,-26.68,;36.53,-25.22,;38.04,-24.89,;39.07,-26.03,;40.57,-25.71,;38.6,-27.5,;39.63,-28.64,)| Show InChI InChI=1S/C25H24ClN3O3S/c1-4-20-21(16-9-7-10-17(26)14(16)2)22-23(27-13-28-24(22)33-20)29-18(25(30)31)12-15-8-5-6-11-19(15)32-3/h5-11,13,18H,4,12H2,1-3H3,(H,30,31)(H,27,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519023 (CHEMBL4437381) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3OC)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(39.83,-31.86,;39.06,-30.53,;37.52,-30.53,;36.62,-31.78,;35.15,-31.3,;33.82,-32.08,;32.48,-31.31,;32.48,-29.76,;33.82,-28.99,;33.81,-27.45,;32.48,-26.69,;32.48,-25.15,;31.14,-24.38,;29.82,-25.15,;28.49,-24.39,;28.48,-22.84,;29.81,-22.07,;31.15,-22.84,;32.48,-22.07,;33.81,-22.84,;31.15,-27.46,;29.81,-26.69,;31.15,-29,;35.15,-29.76,;36.62,-29.28,;37.09,-27.82,;36.06,-26.68,;36.53,-25.22,;38.04,-24.89,;39.07,-26.03,;40.57,-25.71,;38.6,-27.5,;39.63,-28.64,)| Show InChI InChI=1S/C25H24ClN3O3S/c1-4-20-21(16-9-7-10-17(26)14(16)2)22-23(27-13-28-24(22)33-20)29-18(25(30)31)12-15-8-5-6-11-19(15)32-3/h5-11,13,18H,4,12H2,1-3H3,(H,30,31)(H,27,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity to TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS cells by Isothermal Titration Calorimetry				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134
					More data for this Ligand-Target Pair