BDBM50238617 CHEMBL4091711

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)CC

InChI Key: InChIKey=OVNZEOQMTYLCLS-DXARQNLJSA-N

Data: 2 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 2 hits for monomerid = 50238617   

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-4 (Rattus norvegicus (Rat))	BDBM50238617 (CHEMBL4091711) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)CC |r| Show InChI InChI=1S/C59H94N18O17S4/c1-9-28(5)44-56(91)69-35(21-79)59(94)77-16-12-14-41(77)54(89)75-45(29(6)10-2)57(92)70-36(46(61)81)22-95-97-25-39-52(87)68-34(20-78)49(84)67-33(17-32-19-62-26-63-32)58(93)76-15-11-13-40(76)53(88)73-43(27(3)4)55(90)72-38(24-98-96-23-37(51(86)71-39)66-42(80)18-60)50(85)65-30(7)47(82)64-31(8)48(83)74-44/h19,26-31,33-41,43-45,78-79H,9-18,20-25,60H2,1-8H3,(H2,61,81)(H,62,63)(H,64,82)(H,65,85)(H,66,80)(H,67,84)(H,68,87)(H,69,91)(H,70,92)(H,71,86)(H,72,90)(H,73,88)(H,74,83)(H,75,89)/t28-,29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-,45-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a...				J Med Chem 60: 5826-5833 (2017) Article DOI: 10.1021/acs.jmedchem.7b00546 BindingDB Entry DOI: 10.7270/Q28C9ZHM
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4 (Rattus norvegicus-Rattus norvegicus (Rat))	BDBM50238617 (CHEMBL4091711) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)CC |r| Show InChI InChI=1S/C59H94N18O17S4/c1-9-28(5)44-56(91)69-35(21-79)59(94)77-16-12-14-41(77)54(89)75-45(29(6)10-2)57(92)70-36(46(61)81)22-95-97-25-39-52(87)68-34(20-78)49(84)67-33(17-32-19-62-26-63-32)58(93)76-15-11-13-40(76)53(88)73-43(27(3)4)55(90)72-38(24-98-96-23-37(51(86)71-39)66-42(80)18-60)50(85)65-30(7)47(82)64-31(8)48(83)74-44/h19,26-31,33-41,43-45,78-79H,9-18,20-25,60H2,1-8H3,(H2,61,81)(H,62,63)(H,64,82)(H,65,85)(H,66,80)(H,67,84)(H,68,87)(H,69,91)(H,70,92)(H,71,86)(H,72,90)(H,73,88)(H,74,83)(H,75,89)/t28-,29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-,45-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5...				J Med Chem 60: 5826-5833 (2017) Article DOI: 10.1021/acs.jmedchem.7b00546 BindingDB Entry DOI: 10.7270/Q28C9ZHM
					More data for this Ligand-Target Pair