BDBM50545376 CHEMBL4638166

SMILES: C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C

InChI Key: InChIKey=ORKAKWRVOOOMDD-GUQASDBOSA-N

Data: 3 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 3 hits for monomerid = 50545376   

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
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50545376 (CHEMBL4638166) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| Show InChI InChI=1S/C55H73N11O6S/c1-34-43-31-57-54(62-50(43)66(40-15-12-13-16-40)52(71)47(34)37(4)67)60-45-23-22-41(30-56-45)64-27-25-63(26-28-64)24-14-10-8-9-11-17-46(69)61-49(55(5,6)7)53(72)65-32-42(68)29-44(65)51(70)59-35(2)38-18-20-39(21-19-38)48-36(3)58-33-73-48/h18-23,30-31,33,35,40,42,44,49,68H,8-17,24-29,32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t35-,42+,44-,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	32	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
CDK6/CycD3 (Homo sapiens (Human))	BDBM50545376 (CHEMBL4638166) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| Show InChI InChI=1S/C55H73N11O6S/c1-34-43-31-57-54(62-50(43)66(40-15-12-13-16-40)52(71)47(34)37(4)67)60-45-23-22-41(30-56-45)64-27-25-63(26-28-64)24-14-10-8-9-11-17-46(69)61-49(55(5,6)7)53(72)65-32-42(68)29-44(65)51(70)59-35(2)38-18-20-39(21-19-38)48-36(3)58-33-73-48/h18-23,30-31,33,35,40,42,44,49,68H,8-17,24-29,32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t35-,42+,44-,49+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	200	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
CDK6/CycD3 (Homo sapiens (Human))	BDBM50545376 (CHEMBL4638166) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| Show InChI InChI=1S/C55H73N11O6S/c1-34-43-31-57-54(62-50(43)66(40-15-12-13-16-40)52(71)47(34)37(4)67)60-45-23-22-41(30-56-45)64-27-25-63(26-28-64)24-14-10-8-9-11-17-46(69)61-49(55(5,6)7)53(72)65-32-42(68)29-44(65)51(70)59-35(2)38-18-20-39(21-19-38)48-36(3)58-33-73-48/h18-23,30-31,33,35,40,42,44,49,68H,8-17,24-29,32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t35-,42+,44-,49+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	200	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