BDBM50037218 1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman-7-yl)-cyclopentanecarboxylic acid::CHEMBL51770::CP-105696

SMILES: O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O

InChI Key: InChIKey=KMNLXCBYBKHKSK-BKMJKUGQSA-N

Data: 15 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 15 hits for monomerid = 50037218   

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))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZG6VFK
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit [3H]LTB4 binding to LTB4 receptors on guinea pig spleen membranes				Bioorg Med Chem Lett 8: 1781-6 (1998) BindingDB Entry DOI: 10.7270/Q2RR21F1
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZG6VFK
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LTB4 receptor induced chemotaxis of isolated human neutrophils				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZG6VFK
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LTB4 receptor induced chemotaxis of isolated human neutrophils				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZG6VFK
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LTB4 receptor induced chemotaxis of isolated human neutrophils				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZG6VFK
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Tested for antagonistic activity against LTB4 receptor in guinea pig spleen membrane				J Med Chem 37: 3197-9 (1994) BindingDB Entry DOI: 10.7270/Q298862K
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Mus musculus)	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Tested for antagonistic activity in mouse spleen membrane against LTB4 receptor				J Med Chem 37: 3197-9 (1994) BindingDB Entry DOI: 10.7270/Q298862K
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Tested for binding activity against [3H]-LTB4 to whole human neutrophil with halh maximal inhibition				J Med Chem 37: 3197-9 (1994) BindingDB Entry DOI: 10.7270/Q298862K
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils in whole blood				Bioorg Med Chem Lett 8: 1781-6 (1998) BindingDB Entry DOI: 10.7270/Q2RR21F1
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils.				Bioorg Med Chem Lett 8: 1781-6 (1998) BindingDB Entry DOI: 10.7270/Q2RR21F1
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils				Bioorg Med Chem Lett 8: 1781-6 (1998) BindingDB Entry DOI: 10.7270/Q2RR21F1
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	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 Leukotriene B4 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))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils.				Bioorg Med Chem Lett 8: 1781-6 (1998) BindingDB Entry DOI: 10.7270/Q2RR21F1
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037218 (1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman...) Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(O)=O Show InChI InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZG6VFK
					More data for this Ligand-Target Pair