BDBM50514217 CHEMBL4452794

SMILES: [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCC(F)(F)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1

InChI Key: InChIKey=VICYSWJGYYFWFM-GFUARERPSA-N

Data: 1 KI  1 IC50

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 = 50514217   

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))	BDBM50514217 (CHEMBL4452794) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCC(F)(F)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20| Show InChI InChI=1S/C42H56ClF2N5O7S/c1-47(2)58(54,55)46-39(52)42(53)25-38(51)48(3)18-5-4-8-36(56-22-21-49-19-16-41(44,45)17-20-49)33-12-9-30(33)26-50-27-40(28-57-37-14-10-31(42)24-35(37)50)15-6-7-29-23-32(43)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,53H,5-7,9,12,15-22,25-28H2,1-3H3,(H,46,52)/b8-4+/t30-,33+,36-,40-,42+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50514217 (CHEMBL4452794) Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCC(F)(F)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20| Show InChI InChI=1S/C42H56ClF2N5O7S/c1-47(2)58(54,55)46-39(52)42(53)25-38(51)48(3)18-5-4-8-36(56-22-21-49-19-16-41(44,45)17-20-49)33-12-9-30(33)26-50-27-40(28-57-37-14-10-31(42)24-35(37)50)15-6-7-29-23-32(43)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,53H,5-7,9,12,15-22,25-28H2,1-3H3,(H,46,52)/b8-4+/t30-,33+,36-,40-,42+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...				J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310
					More data for this Ligand-Target Pair