BDBM50519047 CHEMBL4521569

SMILES: CCNS(=O)(=O)c1cccc(c1)-c1nc(N[C@H](C)C(O)=O)c2c(c(CC)sc2n1)-c1cccc(Oc2ccc(F)cc2)c1

InChI Key: InChIKey=FCCICGZGYLPBLZ-GOSISDBHSA-N

Data: 3 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 3 hits for monomerid = 50519047   

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))	BDBM50519047 (CHEMBL4521569) Show SMILES CCNS(=O)(=O)c1cccc(c1)-c1nc(N[C@H](C)C(O)=O)c2c(c(CC)sc2n1)-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C31H29FN4O5S2/c1-4-25-26(19-8-6-10-23(16-19)41-22-14-12-21(32)13-15-22)27-29(34-18(3)31(37)38)35-28(36-30(27)42-25)20-9-7-11-24(17-20)43(39,40)33-5-2/h6-18,33H,4-5H2,1-3H3,(H,37,38)(H,34,35,36)/t18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+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
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human))	BDBM50519047 (CHEMBL4521569) Show SMILES CCNS(=O)(=O)c1cccc(c1)-c1nc(N[C@H](C)C(O)=O)c2c(c(CC)sc2n1)-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C31H29FN4O5S2/c1-4-25-26(19-8-6-10-23(16-19)41-22-14-12-21(32)13-15-22)27-29(34-18(3)31(37)38)35-28(36-30(27)42-25)20-9-7-11-24(17-20)43(39,40)33-5-2/h6-18,33H,4-5H2,1-3H3,(H,37,38)(H,34,35,36)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+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 Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay				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))	BDBM50519047 (CHEMBL4521569) Show SMILES CCNS(=O)(=O)c1cccc(c1)-c1nc(N[C@H](C)C(O)=O)c2c(c(CC)sc2n1)-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C31H29FN4O5S2/c1-4-25-26(19-8-6-10-23(16-19)41-22-14-12-21(32)13-15-22)27-29(34-18(3)31(37)38)35-28(36-30(27)42-25)20-9-7-11-24(17-20)43(39,40)33-5-2/h6-18,33H,4-5H2,1-3H3,(H,37,38)(H,34,35,36)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+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