BDBM50136303 CHEMBL3752934

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=BNNAKSPUSXANNM-PTPBNBOESA-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 = 50136303   

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
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136303 (CHEMBL3752934) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C68H119N17O16S/c1-13-39(6)54(76-44(11)88)66(99)73-36-53(89)77-49(28-32-102-12)61(94)78-47(26-18-21-30-70)62(95)85-56(43(10)87)68(101)83-51(34-38(4)5)64(97)79-46(25-17-20-29-69)60(93)75-40(7)58(91)74-41(8)59(92)82-52(35-45-23-15-14-16-24-45)65(98)80-48(27-19-22-31-71)63(96)84-55(42(9)86)67(100)81-50(57(72)90)33-37(2)3/h14-16,23-24,37-43,46-52,54-56,86-87H,13,17-22,25-36,69-71H2,1-12H3,(H2,72,90)(H,73,99)(H,74,91)(H,75,93)(H,76,88)(H,77,89)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,92)(H,83,101)(H,84,96)(H,85,95)/t39-,40-,41-,42+,43+,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay				J Med Chem 59: 328-34 (2016) BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136303 (CHEMBL3752934) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C68H119N17O16S/c1-13-39(6)54(76-44(11)88)66(99)73-36-53(89)77-49(28-32-102-12)61(94)78-47(26-18-21-30-70)62(95)85-56(43(10)87)68(101)83-51(34-38(4)5)64(97)79-46(25-17-20-29-69)60(93)75-40(7)58(91)74-41(8)59(92)82-52(35-45-23-15-14-16-24-45)65(98)80-48(27-19-22-31-71)63(96)84-55(42(9)86)67(100)81-50(57(72)90)33-37(2)3/h14-16,23-24,37-43,46-52,54-56,86-87H,13,17-22,25-36,69-71H2,1-12H3,(H2,72,90)(H,73,99)(H,74,91)(H,75,93)(H,76,88)(H,77,89)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,92)(H,83,101)(H,84,96)(H,85,95)/t39-,40-,41-,42+,43+,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay				J Med Chem 59: 328-34 (2016) BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair