BDBM76780 6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-propan-2-yl-4-benzimidazolamine::6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-propan-2-yl-benzimidazol-4-amine::MLS002471443::N-benzyl-6-(1-methoxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-amine::SMR001395109::benzyl-[1-isopropyl-6-[1-(methoxymethyl)propoxy]benzimidazol-4-yl]amine::cid_44143084

SMILES: CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1

InChI Key: InChIKey=ZUOWQBNCRQTFJD-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 76780   

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
SUMO-1-specific protease (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting				Bioorg Med Chem 19: 359-73 (2011) Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PCBioAssay	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) Article DOI: 10.1021/acs.biochem.5b00607 BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM76780 (6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...) Show SMILES CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PCBioAssay	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) Article DOI: 10.1111/cbdd.12356 BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair