BDBM50170603 (3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]propanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid::CHEMBL411736

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=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=ZWSIFNIMWCIVIU-FTYNLOLUSA-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 = 50170603   

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 protein alpha-7 subunit (Homo sapiens (Human))	BDBM50170603 ((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C67H104N18O22S4/c1-31(2)19-36(55(95)78-41(25-86)59(99)77-40(22-50(69)89)66(106)83-16-6-9-47(83)63(103)75-38(23-52(91)92)57(97)74-37(21-34-12-14-35(88)15-13-34)56(96)80-43(27-108)53(70)93)73-54(94)33(5)71-60(100)45(29-110)82-64(104)48-10-7-17-84(48)67(107)49-11-8-18-85(49)65(105)39(20-32(3)4)76-58(98)42(26-87)79-62(102)46(30-111)81-61(101)44(28-109)72-51(90)24-68/h12-15,31-33,36-49,86-88,108-111H,6-11,16-30,68H2,1-5H3,(H2,69,89)(H2,70,93)(H,71,100)(H,72,90)(H,73,94)(H,74,97)(H,75,103)(H,76,98)(H,77,99)(H,78,95)(H,79,102)(H,80,96)(H,81,101)(H,82,104)(H,91,92)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit (Homo sapiens (Human))	BDBM50170603 ((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C67H104N18O22S4/c1-31(2)19-36(55(95)78-41(25-86)59(99)77-40(22-50(69)89)66(106)83-16-6-9-47(83)63(103)75-38(23-52(91)92)57(97)74-37(21-34-12-14-35(88)15-13-34)56(96)80-43(27-108)53(70)93)73-54(94)33(5)71-60(100)45(29-110)82-64(104)48-10-7-17-84(48)67(107)49-11-8-18-85(49)65(105)39(20-32(3)4)76-58(98)42(26-87)79-62(102)46(30-111)81-61(101)44(28-109)72-51(90)24-68/h12-15,31-33,36-49,86-88,108-111H,6-11,16-30,68H2,1-5H3,(H2,69,89)(H2,70,93)(H,71,100)(H,72,90)(H,73,94)(H,74,97)(H,75,103)(H,76,98)(H,77,99)(H,78,95)(H,79,102)(H,80,96)(H,81,101)(H,82,104)(H,91,92)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair