BDBM50224035 79907::LERGOTRILE::Lergotrile

SMILES: [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C

InChI Key: InChIKey=JKAHWGPTNVUTNB-IXPVHAAZSA-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 = 50224035   

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
Dopamine receptor (BOVINE)	BDBM50224035 (79907 | LERGOTRILE | Lergotrile) Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
Dopamine receptor (BOVINE)	BDBM50224035 (79907 | LERGOTRILE | Lergotrile) Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair