BDBM50274497 CHEMBL4127627

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=FDOIWTRDHIVKQM-LSAAGVNISA-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 = 50274497   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50274497 (CHEMBL4127627) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C78H113Cl2N20O27P/c1-10-36(4)61(74(119)92-51(27-42-15-18-45(104)19-16-42)68(113)86-37(5)65(110)89-49(64(83)109)30-59(82)106)96-66(111)38(6)87-76(121)63(40(8)127-128(124,125)126)98-72(117)55(33-101)95-71(116)53(29-44-32-84-34-85-44)90-69(114)50(25-35(2)3)91-73(118)56-13-11-23-99(56)78(123)57-14-12-24-100(57)77(122)54(31-60(107)108)94-70(115)52(28-43-17-20-46(79)47(80)26-43)93-75(120)62(39(7)102)97-67(112)48(88-41(9)103)21-22-58(81)105/h15-20,26,32,34-40,48-57,61-63,101-102,104H,10-14,21-25,27-31,33H2,1-9H3,(H2,81,105)(H2,82,106)(H2,83,109)(H,84,85)(H,86,113)(H,87,121)(H,88,103)(H,89,110)(H,90,114)(H,91,118)(H,92,119)(H,93,120)(H,94,115)(H,95,116)(H,96,111)(H,97,112)(H,98,117)(H,107,108)(H2,124,125,126)/t36-,37-,38-,39+,40+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay				Bioorg Med Chem 26: 3429-3437 (2018) Article DOI: 10.1016/j.bmc.2018.05.014 BindingDB Entry DOI: 10.7270/Q2CC1364
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50274497 (CHEMBL4127627) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C78H113Cl2N20O27P/c1-10-36(4)61(74(119)92-51(27-42-15-18-45(104)19-16-42)68(113)86-37(5)65(110)89-49(64(83)109)30-59(82)106)96-66(111)38(6)87-76(121)63(40(8)127-128(124,125)126)98-72(117)55(33-101)95-71(116)53(29-44-32-84-34-85-44)90-69(114)50(25-35(2)3)91-73(118)56-13-11-23-99(56)78(123)57-14-12-24-100(57)77(122)54(31-60(107)108)94-70(115)52(28-43-17-20-46(79)47(80)26-43)93-75(120)62(39(7)102)97-67(112)48(88-41(9)103)21-22-58(81)105/h15-20,26,32,34-40,48-57,61-63,101-102,104H,10-14,21-25,27-31,33H2,1-9H3,(H2,81,105)(H2,82,106)(H2,83,109)(H,84,85)(H,86,113)(H,87,121)(H,88,103)(H,89,110)(H,90,114)(H,91,118)(H,92,119)(H,93,120)(H,94,115)(H,95,116)(H,96,111)(H,97,112)(H,98,117)(H,107,108)(H2,124,125,126)/t36-,37-,38-,39+,40+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-GPLATSpTPKNG-OH binding to Plk3 PBD (unknown origin) after 30 mins by fluorescence polarization assay				Bioorg Med Chem 26: 3429-3437 (2018) Article DOI: 10.1016/j.bmc.2018.05.014 BindingDB Entry DOI: 10.7270/Q2CC1364
					More data for this Ligand-Target Pair