BDBM50022799 Ala-Met-Val-Gly-Arg-Cys-Tyr-Arg-Pro-Cys-Trp-Glu-Val::CHEMBL438946

SMILES: CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O

InChI Key: InChIKey=PIKATPHTFFGTTN-AAYLXXCMSA-N

Data: 1 EC50

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 = 50022799   

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
Caspase-8 (Homo sapiens (Human))	BDBM50022799 (Ala-Met-Val-Gly-Arg-Cys-Tyr-Arg-Pro-Cys-Trp-Glu-Va...) Show SMILES CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O Show InChI InChI=1S/C68H102N20O17S3/c1-34(2)53(86-58(96)44(23-27-106-6)79-55(93)36(5)69)64(102)77-31-51(90)78-42(14-9-24-74-67(70)71)56(94)84-48-32-107-108-33-49(62(100)83-47(29-38-30-76-41-13-8-7-12-40(38)41)60(98)80-43(21-22-52(91)92)57(95)87-54(35(3)4)66(104)105)85-63(101)50-16-11-26-88(50)65(103)45(15-10-25-75-68(72)73)81-59(97)46(82-61(48)99)28-37-17-19-39(89)20-18-37/h7-8,12-13,17-20,30,34-36,42-50,53-54,76,89H,9-11,14-16,21-29,31-33,69H2,1-6H3,(H,77,102)(H,78,90)(H,79,93)(H,80,98)(H,81,97)(H,82,99)(H,83,100)(H,84,94)(H,85,101)(H,86,96)(H,87,95)(H,91,92)(H,104,105)(H4,70,71,74)(H4,72,73,75)/t36-,42-,43+,44-,45+,46-,47+,48-,49-,50-,53-,54+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.50E+7	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Melanosome dispersion (skin darkening) within melanocytes (Alpha-MSH-like activity), measured on tetrapod skin				J Med Chem 31: 949-54 (1988) BindingDB Entry DOI: 10.7270/Q2794582
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