null

SMILES: CN1[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O

InChI Key: InChIKey=WYTVCQXHVKVZEJ-MBEDZMRZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50519003   

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-5/beta-1 (Homo sapiens (Human))	BDBM50519003 (CHEMBL4586470) Show SMILES CN1[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-25-20-45-34-26(9-5-10-27(25)34)23-12-14-24(15-13-23)36(55)48-28(11-6-16-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)17-22-7-3-2-4-8-22/h2-5,7-10,12-15,20,28-31,45H,6,11,16-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30+,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human fibronectin binding to human integrin alpha5beta1 incubated for 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519003 (CHEMBL4586470) Show SMILES CN1[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-25-20-45-34-26(9-5-10-27(25)34)23-12-14-24(15-13-23)36(55)48-28(11-6-16-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)17-22-7-3-2-4-8-22/h2-5,7-10,12-15,20,28-31,45H,6,11,16-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30+,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Binding affinity to integrin alphavbeta3 receptor in human WM115 cells assessed as inhibition of cell adhesion to vitronectin after 0.5 hr by fluores...				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519003 (CHEMBL4586470) Show SMILES CN1[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-25-20-45-34-26(9-5-10-27(25)34)23-12-14-24(15-13-23)36(55)48-28(11-6-16-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)17-22-7-3-2-4-8-22/h2-5,7-10,12-15,20,28-31,45H,6,11,16-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30+,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360
					More data for this Ligand-Target Pair