BDBM50209122 (2,2-dibromo-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl}-cyclopropyl)acetic acid::CHEMBL390740

SMILES: OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br

InChI Key: InChIKey=ITGKMDQIQJNXCY-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 = 50209122   

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/ITGB3 (Homo sapiens (Human))	BDBM50209122 ((2,2-dibromo-3-{4-[2-(5,6,7,8-tetrahydro-1,8-napht...) Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3| Show InChI InChI=1S/C21H22Br2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	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))	BDBM50209122 ((2,2-dibromo-3-{4-[2-(5,6,7,8-tetrahydro-1,8-napht...) Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3| Show InChI InChI=1S/C21H22Br2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	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
ITGAV/ITGB6 (Homo sapiens (Human))	BDBM50209122 ((2,2-dibromo-3-{4-[2-(5,6,7,8-tetrahydro-1,8-napht...) Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3| Show InChI InChI=1S/C21H22Br2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.33E+3	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/ITGB5 (Homo sapiens (Human))	BDBM50209122 ((2,2-dibromo-3-{4-[2-(5,6,7,8-tetrahydro-1,8-napht...) Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3| Show InChI InChI=1S/C21H22Br2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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 alphavbeta5 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