BDBM50545380 CHEMBL4645458

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C

InChI Key: InChIKey=MFTRNYPINLZRSO-OYTRKBTESA-N

Data: 2 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 = 50545380   

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
CDK6/CycD3 (Homo sapiens (Human))	BDBM50545380 (CHEMBL4645458) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C53H72F2N12O9/c1-32-38-29-58-52(63-47(38)67(36-11-8-9-12-36)50(72)44(32)34(3)68)60-42-16-15-37(28-57-42)65-19-17-64(18-20-65)21-22-74-23-24-75-25-26-76-31-43(69)59-35-27-41(49(71)61-45-39(54)13-10-14-40(45)55)66(30-35)51(73)46(53(4,5)6)62-48(70)33(2)56-7/h10,13-16,28-29,33,35-36,41,46,56H,8-9,11-12,17-27,30-31H2,1-7H3,(H,59,69)(H,61,71)(H,62,70)(H,57,58,60,63)/t33-,35-,41-,46+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50545380 (CHEMBL4645458) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C53H72F2N12O9/c1-32-38-29-58-52(63-47(38)67(36-11-8-9-12-36)50(72)44(32)34(3)68)60-42-16-15-37(28-57-42)65-19-17-64(18-20-65)21-22-74-23-24-75-25-26-76-31-43(69)59-35-27-41(49(71)61-45-39(54)13-10-14-40(45)55)66(30-35)51(73)46(53(4,5)6)62-48(70)33(2)56-7/h10,13-16,28-29,33,35-36,41,46,56H,8-9,11-12,17-27,30-31H2,1-7H3,(H,59,69)(H,61,71)(H,62,70)(H,57,58,60,63)/t33-,35-,41-,46+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair