null

SMILES: CN1[C@H](Cc2c[nH]c3c(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O

InChI Key: InChIKey=DZZGXQVCGKJMNH-GCXHJFECSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50519004   

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))	BDBM50519004 (CHEMBL4460801) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C39H52N10O8/c1-49-30(35(40)54)19-25-21-44-34-24(13-8-14-26(25)34)12-6-3-7-16-31(50)46-27(15-9-17-43-39(41)42)36(55)45-22-32(51)47-28(20-33(52)53)37(56)48-29(38(49)57)18-23-10-4-2-5-11-23/h2,4-5,8,10-11,13-14,21,27-30,44H,3,6-7,9,12,15-20,22H2,1H3,(H2,40,54)(H,45,55)(H,46,50)(H,47,51)(H,48,56)(H,52,53)(H4,41,42,43)/t27-,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	419	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))	BDBM50519004 (CHEMBL4460801) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C39H52N10O8/c1-49-30(35(40)54)19-25-21-44-34-24(13-8-14-26(25)34)12-6-3-7-16-31(50)46-27(15-9-17-43-39(41)42)36(55)45-22-32(51)47-28(20-33(52)53)37(56)48-29(38(49)57)18-23-10-4-2-5-11-23/h2,4-5,8,10-11,13-14,21,27-30,44H,3,6-7,9,12,15-20,22H2,1H3,(H2,40,54)(H,45,55)(H,46,50)(H,47,51)(H,48,56)(H,52,53)(H4,41,42,43)/t27-,28-,29-,30+/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))	BDBM50519004 (CHEMBL4460801) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C39H52N10O8/c1-49-30(35(40)54)19-25-21-44-34-24(13-8-14-26(25)34)12-6-3-7-16-31(50)46-27(15-9-17-43-39(41)42)36(55)45-22-32(51)47-28(20-33(52)53)37(56)48-29(38(49)57)18-23-10-4-2-5-11-23/h2,4-5,8,10-11,13-14,21,27-30,44H,3,6-7,9,12,15-20,22H2,1H3,(H2,40,54)(H,45,55)(H,46,50)(H,47,51)(H,48,56)(H,52,53)(H4,41,42,43)/t27-,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	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