Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50238582   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 (Rattus norvegicus (Rat))	BDBM50238582 (CHEMBL4105157) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| Show InChI InChI=1S/C53H83N15O15S4/c1-25(2)17-32-45(75)61-33(18-29-11-13-30(70)14-12-29)46(76)64-35(42(56)72)21-84-86-24-38-50(80)63-34(20-69)47(77)57-27(5)43(73)60-31(9-7-15-54)53(83)68-16-8-10-39(68)51(81)66-37(23-87-85-22-36(49(79)65-38)59-40(71)19-55)48(78)58-28(6)44(74)67-41(26(3)4)52(82)62-32/h11-14,25-28,31-39,41,69-70H,7-10,15-24,54-55H2,1-6H3,(H2,56,72)(H,57,77)(H,58,78)(H,59,71)(H,60,73)(H,61,75)(H,62,82)(H,63,80)(H,64,76)(H,65,79)(H,66,81)(H,67,74)/t27-,28-,31-,32-,33-,34-,35+,36-,37-,38-,39-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				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
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50238582 (CHEMBL4105157) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| Show InChI InChI=1S/C53H83N15O15S4/c1-25(2)17-32-45(75)61-33(18-29-11-13-30(70)14-12-29)46(76)64-35(42(56)72)21-84-86-24-38-50(80)63-34(20-69)47(77)57-27(5)43(73)60-31(9-7-15-54)53(83)68-16-8-10-39(68)51(81)66-37(23-87-85-22-36(49(79)65-38)59-40(71)19-55)48(78)58-28(6)44(74)67-41(26(3)4)52(82)62-32/h11-14,25-28,31-39,41,69-70H,7-10,15-24,54-55H2,1-6H3,(H2,56,72)(H,57,77)(H,58,78)(H,59,71)(H,60,73)(H,61,75)(H,62,82)(H,63,80)(H,64,76)(H,65,79)(H,66,81)(H,67,74)/t27-,28-,31-,32-,33-,34-,35+,36-,37-,38-,39-,41-/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				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