null

SMILES: [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O

InChI Key: InChIKey=YYYKEWBUGLVEQB-CEHTUSLUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50308723   

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 (Homo sapiens (Human))	BDBM50308723 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r,w:22.24| Show InChI InChI=1S/C60H69N13O16/c1-2-60(85)41-25-47-52-39(30-73(47)57(83)40(41)31-89-58(60)84)38(37-11-6-7-12-42(37)68-52)28-66-72-50(76)33-88-22-20-86-19-21-87-32-49(75)64-27-36-16-14-35(15-17-36)24-45-54(80)69-43(13-8-18-63-59(61)62)53(79)65-29-48(74)67-46(26-51(77)78)56(82)71-44(55(81)70-45)23-34-9-4-3-5-10-34/h3-7,9-12,14-17,25,28,43-46,85H,2,8,13,18-24,26-27,29-33H2,1H3,(H,64,75)(H,65,79)(H,67,74)(H,69,80)(H,70,81)(H,71,82)(H,72,76)(H,77,78)(H4,61,62,63)/t43-,44+,45-,46-,60-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Inhibition of integrin alphaV receptor-mediated adhesion of human PC3 cells to vitronectin after 1 hr by toluidine blue staining				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308723 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r,w:22.24| Show InChI InChI=1S/C60H69N13O16/c1-2-60(85)41-25-47-52-39(30-73(47)57(83)40(41)31-89-58(60)84)38(37-11-6-7-12-42(37)68-52)28-66-72-50(76)33-88-22-20-86-19-21-87-32-49(75)64-27-36-16-14-35(15-17-36)24-45-54(80)69-43(13-8-18-63-59(61)62)53(79)65-29-48(74)67-46(26-51(77)78)56(82)71-44(55(81)70-45)23-34-9-4-3-5-10-34/h3-7,9-12,14-17,25,28,43-46,85H,2,8,13,18-24,26-27,29-33H2,1H3,(H,64,75)(H,65,79)(H,67,74)(H,69,80)(H,70,81)(H,71,82)(H,72,76)(H,77,78)(H4,61,62,63)/t43-,44+,45-,46-,60-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308723 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r,w:22.24| Show InChI InChI=1S/C60H69N13O16/c1-2-60(85)41-25-47-52-39(30-73(47)57(83)40(41)31-89-58(60)84)38(37-11-6-7-12-42(37)68-52)28-66-72-50(76)33-88-22-20-86-19-21-87-32-49(75)64-27-36-16-14-35(15-17-36)24-45-54(80)69-43(13-8-18-63-59(61)62)53(79)65-29-48(74)67-46(26-51(77)78)56(82)71-44(55(81)70-45)23-34-9-4-3-5-10-34/h3-7,9-12,14-17,25,28,43-46,85H,2,8,13,18-24,26-27,29-33H2,1H3,(H,64,75)(H,65,79)(H,67,74)(H,69,80)(H,70,81)(H,71,82)(H,72,76)(H,77,78)(H4,61,62,63)/t43-,44+,45-,46-,60-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308723 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r,w:22.24| Show InChI InChI=1S/C60H69N13O16/c1-2-60(85)41-25-47-52-39(30-73(47)57(83)40(41)31-89-58(60)84)38(37-11-6-7-12-42(37)68-52)28-66-72-50(76)33-88-22-20-86-19-21-87-32-49(75)64-27-36-16-14-35(15-17-36)24-45-54(80)69-43(13-8-18-63-59(61)62)53(79)65-29-48(74)67-46(26-51(77)78)56(82)71-44(55(81)70-45)23-34-9-4-3-5-10-34/h3-7,9-12,14-17,25,28,43-46,85H,2,8,13,18-24,26-27,29-33H2,1H3,(H,64,75)(H,65,79)(H,67,74)(H,69,80)(H,70,81)(H,71,82)(H,72,76)(H,77,78)(H4,61,62,63)/t43-,44+,45-,46-,60-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Inhibition of integrin alphaVbeta5 receptor-mediated adhesion of human A2780 cells to vitronectin after 1 hr by toluidine blue staining				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair