BDBM50075638 (E)-6-[3-((E)-1-Cyclohexylamino-2-nitro-vinylamino)-phenyl]-6-pyridin-3-yl-hex-5-enoic acid::CHEMBL21392

SMILES: OC(=O)CCC\C=C(\c1cccnc1)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)NC1CCCCC1

InChI Key: InChIKey=DTNBASHNJVNKBM-YDZHTSKRSA-O

Data: 2 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 2 hits for monomerid = 50075638   

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
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50075638 ((E)-6-[3-((E)-1-Cyclohexylamino-2-nitro-vinylamino...) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)NC1CCCCC1 Show InChI InChI=1S/C25H29N4O4/c30-25(31)14-5-4-13-23(20-9-7-15-26-17-20)19-8-6-12-22(16-19)28-24(18-29(32)33)27-21-10-2-1-3-11-21/h6-9,12-13,15-18,21H,1-5,10-11,14H2,(H,27,28)(H,30,31)/q-1/p+1/b23-13+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.				J Med Chem 42: 1235-49 (1999) Article DOI: 10.1021/jm9707941 BindingDB Entry DOI: 10.7270/Q2H41QMS
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50075638 ((E)-6-[3-((E)-1-Cyclohexylamino-2-nitro-vinylamino...) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)NC1CCCCC1 Show InChI InChI=1S/C25H29N4O4/c30-25(31)14-5-4-13-23(20-9-7-15-26-17-20)19-8-6-12-22(16-19)28-24(18-29(32)33)27-21-10-2-1-3-11-21/h6-9,12-13,15-18,21H,1-5,10-11,14H2,(H,27,28)(H,30,31)/q-1/p+1/b23-13+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.				J Med Chem 42: 1235-49 (1999) Article DOI: 10.1021/jm9707941 BindingDB Entry DOI: 10.7270/Q2H41QMS
					More data for this Ligand-Target Pair