BDBM50138321 (5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-[(S)-2-carboxy-2-(2,4,6-trimethyl-benzenesulfonylamino)-ethylcarbamoyl]-1-oxa-2,7-diaza-spiro[4.4]non-2-ene-7-carboxylic acid methyl ester::CHEMBL435806

SMILES: COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O

InChI Key: InChIKey=OMXIQNJVPRHGNN-IFCAXNDLSA-N

Data: 5 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 5 hits for monomerid = 50138321   

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))	BDBM50138321 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24| Show InChI InChI=1S/C29H35N7O8S/c1-16-9-17(2)24(18(3)10-16)45(41,42)35-23(26(38)39)14-30-25(37)22-12-29(44-34-22)11-19(36(15-29)28(40)43-4)13-31-27-32-20-7-5-6-8-21(20)33-27/h5-10,19,23,35H,11-15H2,1-4H3,(H,30,37)(H,38,39)(H2,31,32,33)/t19-,23-,29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor				J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50138321 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24| Show InChI InChI=1S/C29H35N7O8S/c1-16-9-17(2)24(18(3)10-16)45(41,42)35-23(26(38)39)14-30-25(37)22-12-29(44-34-22)11-19(36(15-29)28(40)43-4)13-31-27-32-20-7-5-6-8-21(20)33-27/h5-10,19,23,35H,11-15H2,1-4H3,(H,30,37)(H,38,39)(H2,31,32,33)/t19-,23-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha5-beta1 integrin receptor in ELISA				J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT
					More data for this Ligand-Target Pair
ITGAV/ITGB1 (Homo sapiens (Human))	BDBM50138321 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24| Show InChI InChI=1S/C29H35N7O8S/c1-16-9-17(2)24(18(3)10-16)45(41,42)35-23(26(38)39)14-30-25(37)22-12-29(44-34-22)11-19(36(15-29)28(40)43-4)13-31-27-32-20-7-5-6-8-21(20)33-27/h5-10,19,23,35H,11-15H2,1-4H3,(H,30,37)(H,38,39)(H2,31,32,33)/t19-,23-,29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50138321 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24| Show InChI InChI=1S/C29H35N7O8S/c1-16-9-17(2)24(18(3)10-16)45(41,42)35-23(26(38)39)14-30-25(37)22-12-29(44-34-22)11-19(36(15-29)28(40)43-4)13-31-27-32-20-7-5-6-8-21(20)33-27/h5-10,19,23,35H,11-15H2,1-4H3,(H,30,37)(H,38,39)(H2,31,32,33)/t19-,23-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50138321 ((5S,8S)-8-[(1H-Benzoimidazol-2-ylamino)-methyl]-3-...) Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24| Show InChI InChI=1S/C29H35N7O8S/c1-16-9-17(2)24(18(3)10-16)45(41,42)35-23(26(38)39)14-30-25(37)22-12-29(44-34-22)11-19(36(15-29)28(40)43-4)13-31-27-32-20-7-5-6-8-21(20)33-27/h5-10,19,23,35H,11-15H2,1-4H3,(H,30,37)(H,38,39)(H2,31,32,33)/t19-,23-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma				J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT
					More data for this Ligand-Target Pair