BDBM50075636 (E)-6-[3-(N'-Benzoyl-N''-cyclopentyl-guanidino)-phenyl]-6-pyridin-3-yl-hex-5-enoic acid::CHEMBL21303

SMILES: OC(=O)CCCC=C(c1cccnc1)c1cccc(c1)N=C(NC1CCCC1)NC(=O)c1ccccc1

InChI Key: InChIKey=SRGNPNSJCLBDOM-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 = 50075636   

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))	BDBM50075636 ((E)-6-[3-(N'-Benzoyl-N''-cyclopentyl-guanidino)-ph...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(c1)N=C(NC1CCCC1)NC(=O)c1ccccc1 |w:20.21,6.5| Show InChI InChI=1S/C30H32N4O3/c35-28(36)18-7-6-17-27(24-13-9-19-31-21-24)23-12-8-16-26(20-23)33-30(32-25-14-4-5-15-25)34-29(37)22-10-2-1-3-11-22/h1-3,8-13,16-17,19-21,25H,4-7,14-15,18H2,(H,35,36)(H2,32,33,34,37)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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))	BDBM50075636 ((E)-6-[3-(N'-Benzoyl-N''-cyclopentyl-guanidino)-ph...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(c1)N=C(NC1CCCC1)NC(=O)c1ccccc1 |w:20.21,6.5| Show InChI InChI=1S/C30H32N4O3/c35-28(36)18-7-6-17-27(24-13-9-19-31-21-24)23-12-8-16-26(20-23)33-30(32-25-14-4-5-15-25)34-29(37)22-10-2-1-3-11-22/h1-3,8-13,16-17,19-21,25H,4-7,14-15,18H2,(H,35,36)(H2,32,33,34,37)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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