BDBM50519041 CHEMBL4464302

SMILES: CC(=C)c1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C

InChI Key: InChIKey=VWGHDJKYTHUPAS-LJQANCHMSA-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 = 50519041   

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))	BDBM50519041 (CHEMBL4464302) Show SMILES CC(=C)c1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:11.11,(62.48,-29.38,;61.71,-30.71,;62.48,-32.05,;60.17,-30.71,;59.28,-31.96,;57.81,-31.49,;56.48,-32.27,;55.13,-31.5,;55.14,-29.95,;56.47,-29.18,;56.47,-27.64,;55.13,-26.87,;55.13,-25.33,;53.8,-24.56,;53.8,-23.02,;52.47,-22.26,;51.14,-23.03,;51.14,-24.58,;52.48,-25.34,;53.8,-27.64,;52.47,-26.88,;53.8,-29.18,;57.81,-29.94,;59.27,-29.47,;59.74,-28,;58.71,-26.87,;59.18,-25.41,;60.69,-25.08,;61.73,-26.22,;63.23,-25.89,;61.26,-27.69,;62.29,-28.83,)| Show InChI InChI=1S/C25H22ClN3O2S/c1-14(2)22-20(17-10-7-11-18(26)15(17)3)21-23(27-13-28-24(21)32-22)29-19(25(30)31)12-16-8-5-4-6-9-16/h4-11,13,19H,1,12H2,2-3H3,(H,30,31)(H,27,28,29)/t19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519041 (CHEMBL4464302) Show SMILES CC(=C)c1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:11.11,(62.48,-29.38,;61.71,-30.71,;62.48,-32.05,;60.17,-30.71,;59.28,-31.96,;57.81,-31.49,;56.48,-32.27,;55.13,-31.5,;55.14,-29.95,;56.47,-29.18,;56.47,-27.64,;55.13,-26.87,;55.13,-25.33,;53.8,-24.56,;53.8,-23.02,;52.47,-22.26,;51.14,-23.03,;51.14,-24.58,;52.48,-25.34,;53.8,-27.64,;52.47,-26.88,;53.8,-29.18,;57.81,-29.94,;59.27,-29.47,;59.74,-28,;58.71,-26.87,;59.18,-25.41,;60.69,-25.08,;61.73,-26.22,;63.23,-25.89,;61.26,-27.69,;62.29,-28.83,)| Show InChI InChI=1S/C25H22ClN3O2S/c1-14(2)22-20(17-10-7-11-18(26)15(17)3)21-23(27-13-28-24(21)32-22)29-19(25(30)31)12-16-8-5-4-6-9-16/h4-11,13,19H,1,12H2,2-3H3,(H,30,31)(H,27,28,29)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+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