BDBM50140178 CHEMBL3754350

SMILES: [H][C@@]12C[C@]11N(CC[C@@]2([H])NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC

InChI Key: InChIKey=XXBNSEBYSGKBAQ-OADYWVQWSA-N

Data: 2 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 2 hits for monomerid = 50140178   

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/ITGB3 (Homo sapiens (Human))	BDBM50140178 (CHEMBL3754350) Show SMILES [H][C@@]12C[C@]11N(CC[C@@]2([H])NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r| Show InChI InChI=1S/C21H32N8O8/c1-37-20(36)29-6-4-11-10-8-21(10,29)18(35)28-12(3-2-5-24-19(22)23)16(33)25-9-14(30)26-13(7-15(31)32)17(34)27-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,30)(H,27,34)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitro...				Bioorg Med Chem 24: 703-11 (2016) BindingDB Entry DOI: 10.7270/Q2KD20S3
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50140178 (CHEMBL3754350) Show SMILES [H][C@@]12C[C@]11N(CC[C@@]2([H])NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r| Show InChI InChI=1S/C21H32N8O8/c1-37-20(36)29-6-4-11-10-8-21(10,29)18(35)28-12(3-2-5-24-19(22)23)16(33)25-9-14(30)26-13(7-15(31)32)17(34)27-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,30)(H,27,34)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5/beta1 heterodimer in human K562 cells assessed as inhibition of integrin-mediated human K562 cell adhesion to fib...				Bioorg Med Chem 24: 703-11 (2016) BindingDB Entry DOI: 10.7270/Q2KD20S3
					More data for this Ligand-Target Pair