BDBM50199405 CHEMBL3927311::US10131658, Compound 214

SMILES: Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCNC(N)=N)cc1)C(O)=O

InChI Key: InChIKey=SXKPBPZVSACQSN-GOTSBHOMSA-N

Data: 3 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 3 hits for monomerid = 50199405   

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/ITGB1 (Homo sapiens (Human))	BDBM50199405 (CHEMBL3927311 | US10131658, Compound 214) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCNC(N)=N)cc1)C(O)=O |r| Show InChI InChI=1S/C27H36N6O6S/c1-17-13-18(2)15-21(14-17)40(38,39)33-12-4-5-23(33)25(35)32-22(26(36)37)16-19-7-9-20(10-8-19)31-24(34)6-3-11-30-27(28)29/h7-10,13-15,22-23H,3-6,11-12,16H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...				ACS Med Chem Lett 7: 902-907 (2016) Article DOI: 10.1021/acsmedchemlett.6b00196 BindingDB Entry DOI: 10.7270/Q2XP76X4
					More data for this Ligand-Target Pair
Integrin alpha5beta1 (Homo sapiens (Human))	BDBM50199405 (CHEMBL3927311 | US10131658, Compound 214) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCNC(N)=N)cc1)C(O)=O |r| Show InChI InChI=1S/C27H36N6O6S/c1-17-13-18(2)15-21(14-17)40(38,39)33-12-4-5-23(33)25(35)32-22(26(36)37)16-19-7-9-20(10-8-19)31-24(34)6-3-11-30-27(28)29/h7-10,13-15,22-23H,3-6,11-12,16H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
ITGAV/ITGB1 (Homo sapiens (Human))	BDBM50199405 (CHEMBL3927311 | US10131658, Compound 214) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCNC(N)=N)cc1)C(O)=O |r| Show InChI InChI=1S/C27H36N6O6S/c1-17-13-18(2)15-21(14-17)40(38,39)33-12-4-5-23(33)25(35)32-22(26(36)37)16-19-7-9-20(10-8-19)31-24(34)6-3-11-30-27(28)29/h7-10,13-15,22-23H,3-6,11-12,16H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...				ACS Med Chem Lett 7: 902-907 (2016) Article DOI: 10.1021/acsmedchemlett.6b00196 BindingDB Entry DOI: 10.7270/Q2XP76X4
					More data for this Ligand-Target Pair