BDBM50075616 (E)-6-{3-[(Carbamoylimino-isobutylamino-methyl)-amino]-phenyl}-6-pyridin-3-yl-hex-5-enoic acid::CHEMBL22363

SMILES: CC(C)CNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC(N)=O

InChI Key: InChIKey=HTEXFAJUBRSJDG-UHFFFAOYSA-N

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 = 50075616   

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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50075616 ((E)-6-{3-[(Carbamoylimino-isobutylamino-methyl)-am...) Show SMILES CC(C)CNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC(N)=O |w:27.29,14.15| Show InChI InChI=1S/C23H29N5O3/c1-16(2)14-26-23(28-22(24)31)27-19-9-5-7-17(13-19)20(10-3-4-11-21(29)30)18-8-6-12-25-15-18/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3,(H,29,30)(H4,24,26,27,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50075616 ((E)-6-{3-[(Carbamoylimino-isobutylamino-methyl)-am...) Show SMILES CC(C)CNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC(N)=O |w:27.29,14.15| Show InChI InChI=1S/C23H29N5O3/c1-16(2)14-26-23(28-22(24)31)27-19-9-5-7-17(13-19)20(10-3-4-11-21(29)30)18-8-6-12-25-15-18/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3,(H,29,30)(H4,24,26,27,28,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	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