BDBM50003296 CHEMBL507385::halisulphate1-methylherbipoline

SMILES: CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@@]12CCC[C@@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@]1(C)CCCC2(C)C

InChI Key: InChIKey=WSZPNNWQRYWTAH-PNMOOZIESA-N

Data: 1 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 1 hit for monomerid = 50003296   

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
Prothrombin (Homo sapiens (Human))	BDBM50003296 (CHEMBL507385 | halisulphate1-methylherbipoline) Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@@]12CCC[C@@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@]1(C)CCCC2(C)C |r| Show InChI InChI=1S/C30H48O6S.C8H13N5O/c1-21(13-14-23-19-25(31)15-16-26(23)32)9-6-10-22(2)27(36-37(33,34)35)20-24-11-7-12-28-29(3,4)17-8-18-30(24,28)5;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h13,15-16,19,22,24,27-28,31-32H,6-12,14,17-18,20H2,1-5H3,(H,33,34,35);4,8H,9H2,1-3H3/b21-13+;/t22-,24+,27-,28+,30+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Aoyama Gakuin University Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 61: 248-50 (1998) Article DOI: 10.1021/np970376z BindingDB Entry DOI: 10.7270/Q2P55Q04
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