BDBM50033743 7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid::CHEMBL99099::SC-50605

SMILES: CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O

InChI Key: InChIKey=NFHKAMAWIQHXAT-UHFFFAOYSA-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 = 50033743   

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
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50033743 (7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl...) Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C30H35NO6S/c1-3-5-22-25(11-8-20-9-12-27(30(32)33)37-28(20)22)35-14-4-15-36-26-13-10-21(24-17-38-18-31-24)29(34-2)23(26)16-19-6-7-19/h8,10-11,13,17-19,27H,3-7,9,12,14-16H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Binding affinity for Leukotriene B4 (LTB4) receptor				J Med Chem 38: 858-68 (1995) BindingDB Entry DOI: 10.7270/Q22806N0
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50033743 (7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl...) Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C30H35NO6S/c1-3-5-22-25(11-8-20-9-12-27(30(32)33)37-28(20)22)35-14-4-15-36-26-13-10-21(24-17-38-18-31-24)29(34-2)23(26)16-19-6-7-19/h8,10-11,13,17-19,27H,3-7,9,12,14-16H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Binding affinity for Leukotriene B4 (LTB4) receptor				J Med Chem 38: 858-68 (1995) BindingDB Entry DOI: 10.7270/Q22806N0
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50033743 (7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl...) Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C30H35NO6S/c1-3-5-22-25(11-8-20-9-12-27(30(32)33)37-28(20)22)35-14-4-15-36-26-13-10-21(24-17-38-18-31-24)29(34-2)23(26)16-19-6-7-19/h8,10-11,13,17-19,27H,3-7,9,12,14-16H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.				J Med Chem 38: 858-68 (1995) BindingDB Entry DOI: 10.7270/Q22806N0
					More data for this Ligand-Target Pair