BDBM50209131 4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-pyridyl)butyric acid::CHEMBL226357

SMILES: OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1

InChI Key: InChIKey=BNTMUQHWJSORQO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50209131   

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
ITGAV/ITGB6 (Homo sapiens (Human))	BDBM50209131 (4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...) Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of integrin alphabeta6 receptor expressed in HT29 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
ITGAV/ITGB1 (Homo sapiens (Human))	BDBM50209131 (4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...) Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta1 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50209131 (4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...) Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50209131 (4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...) Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair