BDBM50075630 6-{3-[1-(1-adamantylamino)-2-cyano-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid::CHEMBL21852

SMILES: OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC23CC4CC(CC(C4)C2)C3)=NC#N)c1

InChI Key: InChIKey=RMDNILWXZXFTSB-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 = 50075630   

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))	BDBM50075630 (6-{3-[1-(1-adamantylamino)-2-cyano-(E)-1-iminometh...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC23CC4CC(CC(C4)C2)C3)=NC#N)c1 |w:32.36,6.5,TLB:29:28:31:24.23.25,29:24:31:28.30.27,25:26:30:24.23.29,THB:25:24:30:26.31.27| Show InChI InChI=1S/C29H33N5O2/c30-19-32-28(34-29-15-20-11-21(16-29)13-22(12-20)17-29)33-25-7-3-5-23(14-25)26(8-1-2-9-27(35)36)24-6-4-10-31-18-24/h3-8,10,14,18,20-22H,1-2,9,11-13,15-17H2,(H,35,36)(H2,32,33,34)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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))	BDBM50075630 (6-{3-[1-(1-adamantylamino)-2-cyano-(E)-1-iminometh...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC23CC4CC(CC(C4)C2)C3)=NC#N)c1 |w:32.36,6.5,TLB:29:28:31:24.23.25,29:24:31:28.30.27,25:26:30:24.23.29,THB:25:24:30:26.31.27| Show InChI InChI=1S/C29H33N5O2/c30-19-32-28(34-29-15-20-11-21(16-29)13-22(12-20)17-29)33-25-7-3-5-23(14-25)26(8-1-2-9-27(35)36)24-6-4-10-31-18-24/h3-8,10,14,18,20-22H,1-2,9,11-13,15-17H2,(H,35,36)(H2,32,33,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	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