BDBM50064180 (2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-penta-2,4-dienoic acid [3-(4-pyrimidin-2-yl-piperazin-1-yl)-propyl]-amide::CHEMBL41588

SMILES: CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=MJDINJZUFSVWFM-RZJIVJKBSA-N

Data: 3 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 3 hits for monomerid = 50064180   

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
Vacuolar H(+)-transporting ATPase 116 kDa subunit, a1 isoform (Gallus gallus)	BDBM50064180 ((2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...) Show SMILES CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C25H28Cl2N6O2/c1-35-23(6-2-5-19-15-18-16-20(26)21(27)17-22(18)31-19)24(34)28-9-4-10-32-11-13-33(14-12-32)25-29-7-3-8-30-25/h2-3,5-8,15-17,31H,4,9-14H2,1H3,(H,28,34)/b5-2+,23-6-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Compound was tested for inhibititon of V-ATPase from Chicken osteoclasts(cOc)				J Med Chem 41: 1568-73 (1998) Article DOI: 10.1021/jm9800144 BindingDB Entry DOI: 10.7270/Q2CJ8CM6
					More data for this Ligand-Target Pair
Vacuolar ATP synthase subunit B, kidney isoform (Homo sapiens (Human))	BDBM50064180 ((2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...) Show SMILES CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C25H28Cl2N6O2/c1-35-23(6-2-5-19-15-18-16-20(26)21(27)17-22(18)31-19)24(34)28-9-4-10-32-11-13-33(14-12-32)25-29-7-3-8-30-25/h2-3,5-8,15-17,31H,4,9-14H2,1H3,(H,28,34)/b5-2+,23-6-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Compound was tested for inhibititon of V-ATPase from human kidney cortex(hK)				J Med Chem 41: 1568-73 (1998) Article DOI: 10.1021/jm9800144 BindingDB Entry DOI: 10.7270/Q2CJ8CM6
					More data for this Ligand-Target Pair
Vacuolar H(+)-transporting ATPase 116 kDa subunit, a1 isoform (Gallus gallus)	BDBM50064180 ((2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...) Show SMILES CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C25H28Cl2N6O2/c1-35-23(6-2-5-19-15-18-16-20(26)21(27)17-22(18)31-19)24(34)28-9-4-10-32-11-13-33(14-12-32)25-29-7-3-8-30-25/h2-3,5-8,15-17,31H,4,9-14H2,1H3,(H,28,34)/b5-2+,23-6-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Compound was tested for inhibititon of V-ATPase from Chicken adrenal glands(cAG)				J Med Chem 41: 1568-73 (1998) Article DOI: 10.1021/jm9800144 BindingDB Entry DOI: 10.7270/Q2CJ8CM6
					More data for this Ligand-Target Pair