BDBM149919 US8975415, RP200::US8975415, RP202::US9242973, RP202

SMILES: NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1

InChI Key: InChIKey=STMXAUVFLJMWDN-UHFFFAOYSA-N

Data: 4 KI  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 = 149919   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	92.1	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	92.1	-9.59	128	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	113	-9.47	145	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	113	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	25
CoMentis, Inc. US Patent					Assay Description The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a	n/a	25
CoMentis, Inc. US Patent					Assay Description The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
COMENTIS, INC. US Patent					Assay Description Test Example 5: The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were perfor...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	37
COMENTIS, INC. US Patent					Assay Description Test Example 3: The potency of compounds against BACE1 activity was determined in a cellular assay of Aβ production. Human SK-N-BE(2) neuroblas...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	37
COMENTIS, INC. US Patent					Assay Description Test Example 3: The potency of compounds against BACE1 activity was determined in a cellular assay of Aβ production. Human SK-N-BE(2) neuroblas...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
COMENTIS, INC. US Patent					Assay Description Test Example 5: The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were perfor...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair