BDBM78897 4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-2-imidazolin-4-yl]methyl]phenol::4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-4,5-dihydroimidazol-4-yl]methyl]phenol::4-[[(4R)-2-azanyl-3-(4-cyclohexylbutyl)-4,5-dihydroimidazol-4-yl]methyl]phenol::MLS000888822::SMR000453297::cid_16682618

SMILES: NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1

InChI Key: InChIKey=NITXILIYZADBDB-GOSISDBHSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 78897   

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 E2 N (Homo sapiens (Human))	BDBM78897 (4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-2-imidazoli...) Show SMILES NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 |t:1| Show InChI InChI=1S/C20H31N3O/c21-20-22-15-18(14-17-9-11-19(24)12-10-17)23(20)13-5-4-8-16-6-2-1-3-7-16/h9-12,16,18,24H,1-8,13-15H2,(H2,21,22)/t18-/m1/s1	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+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 (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Neuropilin-1 (Homo sapiens (Human))	BDBM78897 (4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-2-imidazoli...) Show SMILES NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 |t:1| Show InChI InChI=1S/C20H31N3O/c21-20-22-15-18(14-17-9-11-19(24)12-10-17)23(20)13-5-4-8-16-6-2-1-3-7-16/h9-12,16,18,24H,1-8,13-15H2,(H2,21,22)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HM5725
					More data for this Ligand-Target Pair
Drug resistance protein 2 (Candida albicans)	BDBM78897 (4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-2-imidazoli...) Show SMILES NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 |t:1| Show InChI InChI=1S/C20H31N3O/c21-20-22-15-18(14-17-9-11-19(24)12-10-17)23(20)13-5-4-8-16-6-2-1-3-7-16/h9-12,16,18,24H,1-8,13-15H2,(H2,21,22)/t18-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q23F4N63
					More data for this Ligand-Target Pair
Multidrug resistance protein CDR2 (Candida albicans)	BDBM78897 (4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-2-imidazoli...) Show SMILES NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 |t:1| Show InChI InChI=1S/C20H31N3O/c21-20-22-15-18(14-17-9-11-19(24)12-10-17)23(20)13-5-4-8-16-6-2-1-3-7-16/h9-12,16,18,24H,1-8,13-15H2,(H2,21,22)/t18-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.73E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TSJ
					More data for this Ligand-Target Pair