BDBM50320027 CHEMBL1084190::GRPPDSVFRSRGWLS

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(C)C)C(=O)N[C@@H](CO)C(O)=O

InChI Key: InChIKey=YDRPGVIGNOKVDQ-WDSADFJJSA-N

Data: 1 Kd

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 = 50320027   

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
Hemagglutinin (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50320027 (CHEMBL1084190 | GRPPDSVFRSRGWLS) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(C)C)C(=O)N[C@@H](CO)C(O)=O |r,wU:43.52,65.68,26.35,8.20,75.82,116.120,wD:90.93,83.85,37.41,69.74,97.109,54.64,4.4,(-5.83,-18.3,;-5.83,-19.84,;-7.17,-20.61,;-4.5,-20.61,;-4.5,-22.15,;-3.16,-22.91,;-1.83,-22.14,;-1.83,-20.6,;-.5,-22.91,;-.5,-24.46,;-1.83,-25.23,;-3.23,-24.6,;-4.27,-25.75,;-3.49,-27.07,;-3.96,-28.54,;-2.93,-29.68,;-1.43,-29.36,;-.96,-27.89,;-1.99,-26.75,;.83,-22.14,;2.17,-22.91,;2.17,-24.45,;3.51,-22.14,;4.84,-22.91,;6.17,-22.14,;6.17,-20.6,;7.51,-22.9,;7.51,-24.45,;6.17,-25.22,;6.17,-26.76,;4.84,-27.53,;4.84,-29.07,;6.18,-29.86,;3.51,-29.85,;8.85,-22.14,;10.18,-22.91,;10.18,-24.45,;11.52,-22.14,;11.52,-20.6,;10.17,-19.83,;12.84,-22.92,;14.17,-22.14,;14.17,-20.61,;15.5,-22.91,;15.5,-24.45,;14.17,-25.23,;14.17,-26.77,;12.84,-27.54,;12.84,-29.08,;14.17,-29.85,;11.5,-29.86,;16.84,-22.14,;18.17,-22.91,;18.17,-24.45,;19.51,-22.14,;19.51,-20.6,;18.17,-19.84,;16.84,-20.61,;15.51,-19.84,;15.51,-18.31,;16.84,-17.54,;18.16,-18.3,;20.84,-22.91,;22.18,-22.15,;22.18,-20.61,;23.51,-22.92,;24.84,-22.14,;26.17,-22.92,;26.17,-24.46,;27.51,-22.15,;27.51,-20.61,;26.16,-19.83,;28.84,-22.92,;30.18,-22.15,;30.18,-20.62,;31.51,-22.92,;31.51,-24.47,;30.18,-25.24,;28.85,-24.45,;30.18,-26.78,;32.84,-22.16,;34.18,-22.93,;34.18,-24.47,;35.52,-22.16,;35.43,-20.61,;37.07,-20.27,;37.9,-21.72,;36.78,-22.97,;36.97,-24.5,;35.81,-25.51,;38.43,-25,;39.55,-23.93,;40.87,-24.95,;40.32,-26.52,;38.63,-26.49,;37.62,-27.64,;36.1,-27.33,;38.1,-29.1,;39.61,-29.41,;40.63,-28.26,;42.14,-28.57,;43.15,-27.41,;44.66,-27.73,;45.15,-29.19,;45.67,-26.57,;37.07,-30.25,;37.56,-31.71,;39.07,-32.02,;36.53,-32.86,;37.01,-34.33,;23.51,-24.46,;22.18,-25.23,;24.85,-25.23,;-5.83,-22.91,;-5.83,-24.46,;-7.17,-22.15,;-8.5,-22.92,;-8.5,-24.46,;-9.83,-25.23,;-9.83,-22.15,;-11.17,-22.92,;-9.83,-20.62,)| Show InChI InChI=1S/C76H117N25O21/c1-39(2)29-48(63(111)98-54(38-104)73(121)122)93-65(113)50(31-42-34-87-44-18-9-8-17-43(42)44)90-58(106)35-88-61(109)45(19-10-24-84-74(78)79)91-67(115)52(36-102)96-62(110)46(20-11-25-85-75(80)81)92-64(112)49(30-41-15-6-5-7-16-41)95-70(118)60(40(3)4)99-68(116)53(37-103)97-66(114)51(32-59(107)108)94-69(117)55-22-13-27-100(55)72(120)56-23-14-28-101(56)71(119)47(89-57(105)33-77)21-12-26-86-76(82)83/h5-9,15-18,34,39-40,45-56,60,87,102-104H,10-14,19-33,35-38,77H2,1-4H3,(H,88,109)(H,89,105)(H,90,106)(H,91,115)(H,92,112)(H,93,113)(H,94,117)(H,95,118)(H,96,110)(H,97,114)(H,98,111)(H,99,116)(H,107,108)(H,121,122)(H4,78,79,84)(H4,80,81,85)(H4,82,83,86)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity to Influenza A virus (A/Puerto Rico/8/34(H1N1)) hemagglutinin by phage ELISA				J Med Chem 53: 4441-9 (2010) Article DOI: 10.1021/jm1002183 BindingDB Entry DOI: 10.7270/Q2ZP4697
					More data for this Ligand-Target Pair