BDBM50410235 CHEMBL2096812

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O

InChI Key: InChIKey=HCCCRTKFBOCXHX-AAAGEJFCSA-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 = 50410235   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50410235 (CHEMBL2096812) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31+/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	9.20E+3	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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50410235 (CHEMBL2096812) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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))	BDBM50410235 (CHEMBL2096812) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19| Show InChI InChI=1S/C31H39N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-9,11-12,23,25,29,33,35,37H,10,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,29?,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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