BindingDB logo
myBDB logout

BDBM50010179 1N-[1-formyl-(1S)-ethylcarbamoylmethylcarbamoylmethyl]-2-[2-(1H-5-imidazolyl)-1-[2-(1H-5-imidazolyl)-1-methylcarboxamido-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-4-methyl-(2S)-pentanamide [4-Carbamoyl-16-(2,6-diamino-hexanoylamino)-13-(3-guanidino-propyl)-3,3-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid::CHEMBL2370404

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O

InChI Key: InChIKey=SRYSGNXPFWUXDV-ZQAHWTIOSA-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 = 50010179   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010179
PNG
(1N-[1-formyl-(1S)-ethylcarbamoylmethylcarbamoylmet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O
Show InChI InChI=1S/C53H85N21O15S2/c1-26(2)14-33(71-49(87)35(16-30-19-59-25-65-30)72-48(86)34(67-28(4)75)15-29-18-58-24-64-29)46(84)62-20-38(76)61-21-39(77)66-27(3)44(82)69-32(10-7-8-12-54)47(85)73-37-23-90-91-53(5,6)42(43(55)81)74-50(88)36(17-41(79)80)68-40(78)22-63-45(83)31(70-51(37)89)11-9-13-60-52(56)57/h18-19,24-27,31-37,42H,7-17,20-23,54H2,1-6H3,(H2,55,81)(H,58,64)(H,59,65)(H,61,76)(H,62,84)(H,63,83)(H,66,77)(H,67,75)(H,68,78)(H,69,82)(H,70,89)(H,71,87)(H,72,86)(H,73,85)(H,74,88)(H,79,80)(H4,56,57,60)/t27-,31-,32-,33-,34-,35-,36-,37-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair