BDBM50141334 3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropoxycarbonylamino-propionic acid::CHEMBL431496

SMILES: [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O

InChI Key: InChIKey=XOCAITJQZBYGFQ-UHFFFAOYSA-N

Data: 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 5 hits for monomerid = 50141334   

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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50141334 (3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...) Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25)	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	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50141334 (3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...) Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50141334 (3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...) Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50141334 (3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...) Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50141334 (3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...) Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS
					More data for this Ligand-Target Pair