BDBM61205 1,8-bis(azanyl)-6-methoxy-3-pyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrile;ethanoic acid::1,8-diamino-6-methoxy-3-pyrrolidino-2,7-naphthyridine-4-carbonitrile::MLS001007001::SMR000349800::acetic acid;1,8-diamino-6-methoxy-3-(1-pyrrolidinyl)-2,7-naphthyridine-4-carbonitrile::acetic acid;1,8-diamino-6-methoxy-3-pyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrile::acetic acid;1,8-diamino-6-methoxy-3-pyrrolidino-2,7-naphthyridine-4-carbonitrile::cid_16196095

SMILES: COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1

InChI Key: InChIKey=IDEBMNCCBLHGNO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 61205   

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
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human))	BDBM61205 (1,8-bis(azanyl)-6-methoxy-3-pyrrolidin-1-yl-2,7-na...) Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1 Show InChI InChI=1S/C14H16N6O/c1-21-10-6-8-9(7-15)14(20-4-2-3-5-20)19-13(17)11(8)12(16)18-10/h6H,2-5H2,1H3,(H2,16,18)(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.34E+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/Q2V986G8
					More data for this Ligand-Target Pair
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human))	BDBM61205 (1,8-bis(azanyl)-6-methoxy-3-pyrrolidin-1-yl-2,7-na...) Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1 Show InChI InChI=1S/C14H16N6O/c1-21-10-6-8-9(7-15)14(20-4-2-3-5-20)19-13(17)11(8)12(16)18-10/h6H,2-5H2,1H3,(H2,16,18)(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.79E+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/Q2BP0175
					More data for this Ligand-Target Pair
SUMO-1-specific protease (Homo sapiens (Human))	BDBM61205 (1,8-bis(azanyl)-6-methoxy-3-pyrrolidin-1-yl-2,7-na...) Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1 Show InChI InChI=1S/C14H16N6O/c1-21-10-6-8-9(7-15)14(20-4-2-3-5-20)19-13(17)11(8)12(16)18-10/h6H,2-5H2,1H3,(H2,16,18)(H2,17,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.24E+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
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM61205 (1,8-bis(azanyl)-6-methoxy-3-pyrrolidin-1-yl-2,7-na...) Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1 Show InChI InChI=1S/C14H16N6O/c1-21-10-6-8-9(7-15)14(20-4-2-3-5-20)19-13(17)11(8)12(16)18-10/h6H,2-5H2,1H3,(H2,16,18)(H2,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.64E+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
Caspase-3 (Homo sapiens (Human))	BDBM61205 (1,8-bis(azanyl)-6-methoxy-3-pyrrolidin-1-yl-2,7-na...) Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1 Show InChI InChI=1S/C14H16N6O/c1-21-10-6-8-9(7-15)14(20-4-2-3-5-20)19-13(17)11(8)12(16)18-10/h6H,2-5H2,1H3,(H2,16,18)(H2,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.35E+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