BDBM50170588 (3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-{[(2S)-1-[(2S)-2-{[(1R)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(2S)-3-carbamoyl-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}pyrrolidin::CHEMBL451252

SMILES: CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)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)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=NURHOKYPHUZXFQ-HVKKXNSXSA-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 = 50170588   

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-3/beta-2 subunit (Homo sapiens (Human))	BDBM50170588 ((3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)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)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/C67H103N23O25S5/c1-120-16-12-31(53(102)80-35(19-47(70)94)56(105)84-38(20-48(71)95)66(115)90-15-4-6-44(90)63(112)83-37(22-51(99)100)58(107)79-33(17-29-8-10-30(92)11-9-29)54(103)86-40(25-116)52(72)101)77-55(104)34(18-46(69)93)81-61(110)43(28-119)88-64(113)45-7-3-14-89(45)65(114)32(5-2-13-75-67(73)74)78-57(106)36(21-50(97)98)82-59(108)39(24-91)85-62(111)42(27-118)87-60(109)41(26-117)76-49(96)23-68/h8-11,31-45,91-92,116-119H,2-7,12-28,68H2,1H3,(H2,69,93)(H2,70,94)(H2,71,95)(H2,72,101)(H,76,96)(H,77,104)(H,78,106)(H,79,107)(H,80,102)(H,81,110)(H,82,108)(H,83,112)(H,84,105)(H,85,111)(H,86,103)(H,87,109)(H,88,113)(H,97,98)(H,99,100)(H4,73,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/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	30	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
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50170588 ((3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)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)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/C67H103N23O25S5/c1-120-16-12-31(53(102)80-35(19-47(70)94)56(105)84-38(20-48(71)95)66(115)90-15-4-6-44(90)63(112)83-37(22-51(99)100)58(107)79-33(17-29-8-10-30(92)11-9-29)54(103)86-40(25-116)52(72)101)77-55(104)34(18-46(69)93)81-61(110)43(28-119)88-64(113)45-7-3-14-89(45)65(114)32(5-2-13-75-67(73)74)78-57(106)36(21-50(97)98)82-59(108)39(24-91)85-62(111)42(27-118)87-60(109)41(26-117)76-49(96)23-68/h8-11,31-45,91-92,116-119H,2-7,12-28,68H2,1H3,(H2,69,93)(H2,70,94)(H2,71,95)(H2,72,101)(H,76,96)(H,77,104)(H,78,106)(H,79,107)(H,80,102)(H,81,110)(H,82,108)(H,83,112)(H,84,105)(H,85,111)(H,86,103)(H,87,109)(H,88,113)(H,97,98)(H,99,100)(H4,73,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/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	30	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