BDBM81519 CAS_117690-79-6::CGS 23356::CHEMBL15766::LY 255283

SMILES: CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1

InChI Key: InChIKey=WCGXJPFHTHQNJL-UHFFFAOYSA-N

Data: 4 KI  5 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 9 hits for monomerid = 81519   

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 2 (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by PDSP Ki Database									J Pharmacol Exp Ther 262: 80-9 (1992) BindingDB Entry DOI: 10.7270/Q21C1VBX
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				Bioorg Med Chem Lett 3: 1981-1984 (1993) Article DOI: 10.1016/S0960-894X(01)80999-9 BindingDB Entry DOI: 10.7270/Q2VH5P9R
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against LTB4 receptor in guinea pig membrane				Bioorg Med Chem Lett 3: 1147-1152 (1993) Article DOI: 10.1016/S0960-894X(00)80304-2 BindingDB Entry DOI: 10.7270/Q2M32VP9
					More data for this Ligand-Target Pair
Leukotriene 2 (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by PDSP Ki Database									J Pharmacol Exp Ther 262: 80-9 (1992) BindingDB Entry DOI: 10.7270/Q21C1VBX
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils				Bioorg Med Chem Lett 3: 1981-1984 (1993) Article DOI: 10.1016/S0960-894X(01)80999-9 BindingDB Entry DOI: 10.7270/Q2VH5P9R
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at GST-tagged FXRalpha LBD (unknown origin) assessed as inhibition of CDCA-induced bio-SRC-1 recruitment after 30 mins by fluores...				Bioorg Med Chem 22: 1596-607 (2014) Article DOI: 10.1016/j.bmc.2014.01.032 BindingDB Entry DOI: 10.7270/Q29Z96CW
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding				J Med Chem 39: 2629-54 (1996) Article DOI: 10.1021/jm960088k BindingDB Entry DOI: 10.7270/Q21J9BFT
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition against LTB4 receptor in human neutrophil				Bioorg Med Chem Lett 3: 1147-1152 (1993) Article DOI: 10.1016/S0960-894X(00)80304-2 BindingDB Entry DOI: 10.7270/Q2M32VP9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	85.1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Leukotriene B4 binding to human PMN				J Med Chem 37: 2411-20 (1994) BindingDB Entry DOI: 10.7270/Q29022TR
					More data for this Ligand-Target Pair