BDBM50170593 (3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-[(2S)-2-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-4-[(diaminomethylidene)amino]butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid::CHEMBL386114

SMILES: C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

InChI Key: InChIKey=GWMPLPRCVNXVGX-DCVARKJOSA-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 = 50170593   

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-9 subunit (Homo sapiens (Human))	BDBM50170593 ((3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-...) Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C49H77N19O14S3/c1-23(39(74)63-29(15-24-18-58-26-8-3-2-7-25(24)26)41(76)61-27(38(51)73)9-4-12-56-48(52)53)59-43(78)33(21-84)66-40(75)28(10-5-13-57-49(54)55)62-46(81)35-11-6-14-68(35)47(82)30(16-37(71)72)64-42(77)31(19-69)65-45(80)34(22-85)67-44(79)32(20-83)60-36(70)17-50/h2-3,7-8,18,23,27-35,58,69,83-85H,4-6,9-17,19-22,50H2,1H3,(H2,51,73)(H,59,78)(H,60,70)(H,61,76)(H,62,81)(H,63,74)(H,64,77)(H,65,80)(H,66,75)(H,67,79)(H,71,72)(H4,52,53,56)(H4,54,55,57)/t23-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 alpha9; Range is 100-200 nM				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-7 subunit (Homo sapiens (Human))	BDBM50170593 ((3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-...) Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C49H77N19O14S3/c1-23(39(74)63-29(15-24-18-58-26-8-3-2-7-25(24)26)41(76)61-27(38(51)73)9-4-12-56-48(52)53)59-43(78)33(21-84)66-40(75)28(10-5-13-57-49(54)55)62-46(81)35-11-6-14-68(35)47(82)30(16-37(71)72)64-42(77)31(19-69)65-45(80)34(22-85)67-44(79)32(20-83)60-36(70)17-50/h2-3,7-8,18,23,27-35,58,69,83-85H,4-6,9-17,19-22,50H2,1H3,(H2,51,73)(H,59,78)(H,60,70)(H,61,76)(H,62,81)(H,63,74)(H,64,77)(H,65,80)(H,66,75)(H,67,79)(H,71,72)(H4,52,53,56)(H4,54,55,57)/t23-,27-,28-,29-,30-,31-,32-,33-,34-,35-/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	200	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 alpha7; Range is 100-200 nM				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