BDBM50453873 CHEMBL4210179

SMILES: NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSCc2ccc(CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C1=O)cc2)NC(=O)CCC#C

InChI Key: InChIKey=ISCJQQQSNPDCBB-VLOLPVCOSA-N

Data: 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 1 hit for monomerid = 50453873   

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
EH domain-containing protein 1 (Homo sapiens)	BDBM50453873 (CHEMBL4210179) Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSCc2ccc(CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C1=O)cc2)NC(=O)CCC#C |r| Show InChI InChI=1S/C55H67N9O14S2/c1-2-3-11-46(67)58-43-32-80-31-36-14-12-35(13-15-36)30-79-26-24-57-49(72)38(20-22-47(68)69)59-50(73)39(21-23-48(70)71)60-51(74)41(27-33-8-5-4-6-9-33)62-54(77)44-10-7-25-64(44)55(78)42(29-45(56)66)63-52(75)40(61-53(43)76)28-34-16-18-37(65)19-17-34/h1,4-6,8-9,12-19,38-44,65H,3,7,10-11,20-32H2,(H2,56,66)(H,57,72)(H,58,67)(H,59,73)(H,60,74)(H,61,76)(H,62,77)(H,63,75)(H,68,69)(H,70,71)/t38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea...				Bioorg Med Chem 26: 1206-1211 (2018) Article DOI: 10.1016/j.bmc.2017.09.007 BindingDB Entry DOI: 10.7270/Q2CN76G0
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