BDBM50136304 CHEMBL3751917

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](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=JVKCDZHENPOBLT-UJDSMLCVSA-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 = 50136304   

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))	BDBM50136304 (CHEMBL3751917) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](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/C72H126N18O18S/c1-14-40(6)56(88-72(108)57(43(9)91)80-46(12)94)69(105)77-37-55(95)81-51(29-33-109-13)64(100)82-49(27-19-22-31-74)65(101)90-59(45(11)93)71(107)87-53(35-39(4)5)67(103)83-48(26-18-21-30-73)63(99)79-41(7)61(97)78-42(8)62(98)86-54(36-47-24-16-15-17-25-47)68(104)84-50(28-20-23-32-75)66(102)89-58(44(10)92)70(106)85-52(60(76)96)34-38(2)3/h15-17,24-25,38-45,48-54,56-59,91-93H,14,18-23,26-37,73-75H2,1-13H3,(H2,76,96)(H,77,105)(H,78,97)(H,79,99)(H,80,94)(H,81,95)(H,82,100)(H,83,103)(H,84,104)(H,85,106)(H,86,98)(H,87,107)(H,88,108)(H,89,102)(H,90,101)/t40-,41-,42-,43+,44+,45+,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-,59-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.95E+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))	BDBM50136304 (CHEMBL3751917) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](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/C72H126N18O18S/c1-14-40(6)56(88-72(108)57(43(9)91)80-46(12)94)69(105)77-37-55(95)81-51(29-33-109-13)64(100)82-49(27-19-22-31-74)65(101)90-59(45(11)93)71(107)87-53(35-39(4)5)67(103)83-48(26-18-21-30-73)63(99)79-41(7)61(97)78-42(8)62(98)86-54(36-47-24-16-15-17-25-47)68(104)84-50(28-20-23-32-75)66(102)89-58(44(10)92)70(106)85-52(60(76)96)34-38(2)3/h15-17,24-25,38-45,48-54,56-59,91-93H,14,18-23,26-37,73-75H2,1-13H3,(H2,76,96)(H,77,105)(H,78,97)(H,79,99)(H,80,94)(H,81,95)(H,82,100)(H,83,103)(H,84,104)(H,85,106)(H,86,98)(H,87,107)(H,88,108)(H,89,102)(H,90,101)/t40-,41-,42-,43+,44+,45+,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-,59-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.03E+4	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