BDBM50442609 CHEMBL2441417

SMILES: Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1

InChI Key: InChIKey=INGZRGKJUHWGLX-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50442609   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 26: 2339-43 (2016) BindingDB Entry DOI: 10.7270/Q2668G3Q
					More data for this Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay				Bioorg Med Chem Lett 26: 2339-43 (2016) BindingDB Entry DOI: 10.7270/Q2668G3Q
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+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 analysis				Bioorg Med Chem Lett 26: 2339-43 (2016) BindingDB Entry DOI: 10.7270/Q2668G3Q
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	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 by whole-cell voltage clamp method				Bioorg Med Chem Lett 26: 2339-43 (2016) BindingDB Entry DOI: 10.7270/Q2668G3Q
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 5829-32 (2013) Article DOI: 10.1016/j.bmcl.2013.08.104 BindingDB Entry DOI: 10.7270/Q28K7BHG
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50442609 (CHEMBL2441417) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ROMK channel by electrophysiology assay				Bioorg Med Chem Lett 23: 5829-32 (2013) Article DOI: 10.1016/j.bmcl.2013.08.104 BindingDB Entry DOI: 10.7270/Q28K7BHG
					More data for this Ligand-Target Pair