BDBM50429470 CHEMBL2332833

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O

InChI Key: InChIKey=LMCAPKVVZZHYLE-TWFHAPMSSA-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 = 50429470   

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))	BDBM50429470 (CHEMBL2332833) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA				J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50429470 (CHEMBL2332833) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to Integrin alpha2bbeta3 receptor (unknown origin) by competitive ELISA				J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50429470 (CHEMBL2332833) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA				J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50429470 (CHEMBL2332833) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA				J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50429470 (CHEMBL2332833) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to Integrin alphaVbeta5 receptor (unknown origin) by competitive ELISA				J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B
					More data for this Ligand-Target Pair