BDBM300939 BDBM300948::US10131658, Compound 198

SMILES: CNCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)Nc1ccc(C[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=XUZYXUYMPMIJCS-ANUFDVCNSA-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 = 300939   

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 alpha5beta1 (Homo sapiens (Human))	BDBM300939 (BDBM300948 | US10131658, Compound 198) Show SMILES CNCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)Nc1ccc(C[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C33H48N8O7S/c1-36-19-7-3-6-14-29(42)39-26(12-8-20-37-33(34)35)30(43)38-24-17-15-23(16-18-24)22-27(32(45)46)40-31(44)28-13-9-21-41(28)49(47,48)25-10-4-2-5-11-25/h2,4-5,10-11,15-18,26-28,36H,3,6-9,12-14,19-22H2,1H3,(H,38,43)(H,39,42)(H,40,44)(H,45,46)(H4,34,35,37)/t26-,27+,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins...				US Patent US10131658 (2018) BindingDB Entry DOI: 10.7270/Q2SX6G8Q
					More data for this Ligand-Target Pair
Integrin alpha5beta1 (Homo sapiens (Human))	BDBM300939 (BDBM300948 | US10131658, Compound 198) Show SMILES CNCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)Nc1ccc(C[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C33H48N8O7S/c1-36-19-7-3-6-14-29(42)39-26(12-8-20-37-33(34)35)30(43)38-24-17-15-23(16-18-24)22-27(32(45)46)40-31(44)28-13-9-21-41(28)49(47,48)25-10-4-2-5-11-25/h2,4-5,10-11,15-18,26-28,36H,3,6-9,12-14,19-22H2,1H3,(H,38,43)(H,39,42)(H,40,44)(H,45,46)(H4,34,35,37)/t26-,27+,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins...				US Patent US10131658 (2018) BindingDB Entry DOI: 10.7270/Q2SX6G8Q
					More data for this Ligand-Target Pair