BDBM50140093 CHEMBL406720::GCCSHPACAANNQDYC*

SMILES: C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC1=NCNC1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

InChI Key: InChIKey=DRTSUYJOTAZAJC-VXQKWGFBSA-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 = 50140093   

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
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat))	BDBM50140093 (CHEMBL406720 | GCCSHPACAANNQDYC*) Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC1=NCNC1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O |t:26| Show InChI InChI=1S/C60H91N21O22S4/c1-25(68-56(99)39(22-106)79-49(92)26(2)69-59(102)41-4-3-11-81(41)60(103)35(13-28-18-66-24-67-28)76-55(98)36(19-82)77-58(101)40(23-107)80-57(100)38(21-105)70-45(87)17-61)48(91)72-32(14-43(63)85)53(96)74-33(15-44(64)86)52(95)71-30(9-10-42(62)84)50(93)75-34(16-46(88)89)54(97)73-31(12-27-5-7-29(83)8-6-27)51(94)78-37(20-104)47(65)90/h5-8,25-26,30-41,66,82-83,104-107H,3-4,9-24,61H2,1-2H3,(H2,62,84)(H2,63,85)(H2,64,86)(H2,65,90)(H,68,99)(H,69,102)(H,70,87)(H,71,95)(H,72,91)(H,73,97)(H,74,96)(H,75,93)(H,76,98)(H,77,101)(H,78,94)(H,79,92)(H,80,100)(H,88,89)/t25-,26-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes				J Med Chem 47: 1234-41 (2004) Article DOI: 10.1021/jm031010o BindingDB Entry DOI: 10.7270/Q2RN378M
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