BDBM44459 1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-propenyl]-1H-benzo[e]indolium::1,1,3-trimethyl-2-[(E,3Z)-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]benzo[e]indol-3-ium;perchlorate::1,1,3-trimethyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium;perchlorate::1,1,3-trimethyl-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benz[e]indol-3-ium;perchlorate::MLS000525274::SMR000122148::cid_9549472

SMILES: CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12

InChI Key: InChIKey=CAQVGTGTLHVPML-UHFFFAOYSA-N

Data: 11 IC50  1 EC50

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 12 hits for monomerid = 44459   

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
Eph receptor A4 (Mus musculus)	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-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 (2008) BindingDB Entry DOI: 10.7270/Q2P55KW4
					More data for this Ligand-Target Pair
Eph receptor A4 (Mus musculus)	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T
					More data for this Ligand-Target Pair
matrix metalloproteinase 1 (Homo sapiens (Human))	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.71E+3	n/a	n/a	n/a	n/a
Sanford-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 (2008) BindingDB Entry DOI: 10.7270/Q2154FGT
					More data for this Ligand-Target Pair
BZLF2 (Human herpesvirus 4 type 2)	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2VD6WW6
					More data for this Ligand-Target Pair
phosphomannomutase 2 (Homo sapiens (Human))	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	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
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of human purified PMM2				J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP
					More data for this Ligand-Target Pair
plectin 1 (Homo sapiens (Human))	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+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 (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2QZ28D7
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
XBP1 (Homo sapiens (Human))	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of human purified phosphomannose isomerase				J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM44459 (1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...) Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6| Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QN6558
					More data for this Ligand-Target Pair