BDBM50204272 CHEMBL3964139

SMILES: [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C

InChI Key: InChIKey=CHVOVRGBCPPLHQ-CTNGQTDRSA-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 = 50204272   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50204272 (CHEMBL3964139) Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r| Show InChI InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ERG by electrophysiology method				Bioorg Med Chem Lett 26: 5695-5702 (2016) Article DOI: 10.1016/j.bmcl.2016.10.064 BindingDB Entry DOI: 10.7270/Q2F191PS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50204272 (CHEMBL3964139) Show SMILES [H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r| Show InChI InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method				Bioorg Med Chem Lett 26: 5695-5702 (2016) Article DOI: 10.1016/j.bmcl.2016.10.064 BindingDB Entry DOI: 10.7270/Q2F191PS
					More data for this Ligand-Target Pair