Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'marion' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565940 (CHEMBL4787835) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50565948 (CHEMBL4780301) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta6 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565938 (CHEMBL4798050) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(Cl)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565937 (CHEMBL4782291) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(F)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565939 (CHEMBL4794071) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(I)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565942 (CHEMBL4790959) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2cccc(N)c2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565943 (CHEMBL4787559) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565934 (CHEMBL4791029) Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2c[nH]c3c(Br)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565941 (CHEMBL4798169) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3cc(Br)ccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565945 (CHEMBL4795994) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2c3ccccc3cc3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,wU:3.2,35.40,47.52,wD:7.7,(18.65,-11.81,;17.32,-12.59,;15.98,-11.81,;17.32,-14.13,;15.98,-14.9,;14.65,-14.13,;14.65,-12.59,;13.31,-14.9,;11.98,-14.13,;11.98,-12.59,;13.23,-11.69,;12.75,-10.22,;11.21,-10.22,;10.18,-9.08,;8.68,-9.39,;8.2,-10.86,;9.23,-12,;10.73,-11.69,;10.66,-7.61,;12.17,-7.3,;13.19,-8.44,;14.7,-8.13,;15.17,-6.66,;14.15,-5.53,;12.65,-5.84,;11.62,-4.69,;10.11,-5.01,;9.08,-3.87,;7.57,-4.19,;7.1,-5.67,;8.13,-6.8,;9.64,-6.48,;13.31,-16.44,;11.98,-17.21,;10.65,-16.44,;11.98,-18.75,;10.65,-19.52,;9.31,-18.75,;7.98,-19.52,;9.31,-17.21,;13.32,-19.52,;13.8,-20.99,;12.77,-22.13,;15.31,-21.3,;16.34,-20.16,;17.84,-20.48,;18.32,-21.95,;18.87,-19.34,;20.38,-19.65,;21.41,-18.52,;22.92,-18.83,;23.95,-17.69,;25.46,-18.01,;26.49,-16.87,;25.93,-19.48,;18.09,-17.83,;18.65,-14.9,;19.99,-14.13,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565933 (CHEMBL4798049) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(Br)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565944 (CHEMBL4793182) Show SMILES COc1ccc(cc1)-c1cccc2c(C[C@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC3=O)C(C)C)c[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004058 ((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha2bbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565947 (CHEMBL4787675) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004058 ((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human fibronectin binding to human Integrin alpha2b beta3 receptor incubated for 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565935 (CHEMBL4800039) Show SMILES CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2c[nH]c3c(Br)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50518996 (CHEMBL4465029) Show SMILES CN1[C@H](Cc2c[nH]c3c(cccc23)-c2ccccc2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-23-20-45-34-24(23)13-7-14-26(34)25-11-5-6-12-27(25)36(55)48-28(15-8-16-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)17-22-9-3-2-4-10-22/h2-7,9-14,20,28-31,45H,8,15-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human fibronectin binding to human integrin alpha5beta1 incubated for 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50565946 (CHEMBL4787900) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc3ccc4cccc5ccc2c3c45)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50518999 (CHEMBL4441326) Show SMILES CN1[C@H](Cc2c[nH]c3c(cccc23)-c2cccc(c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-25-20-45-34-26(12-6-13-27(25)34)23-10-5-11-24(17-23)36(55)48-28(14-7-15-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)16-22-8-3-2-4-9-22/h2-6,8-13,17,20,28-31,45H,7,14-16,18-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565947 (CHEMBL4787675) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565935 (CHEMBL4800039) Show SMILES CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2c[nH]c3c(Br)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519006 (CHEMBL4448989) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C36H46N10O8/c1-46-27(32(37)51)16-22-18-41-31-21(9-5-10-23(22)31)12-13-28(47)43-24(11-6-14-40-36(38)39)33(52)42-19-29(48)44-25(17-30(49)50)34(53)45-26(35(46)54)15-20-7-3-2-4-8-20/h2-5,7-10,18,24-27,41H,6,11-17,19H2,1H3,(H2,37,51)(H,42,52)(H,43,47)(H,44,48)(H,45,53)(H,49,50)(H4,38,39,40)/t24-,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519008 (CHEMBL4462153) Show SMILES CN1[C@H](Cc2c[nH]c3cc(ccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-32(35(41)54)18-26-20-45-29-17-25(13-14-27(26)29)23-9-11-24(12-10-23)36(55)48-28(8-5-15-44-40(42)43)37(56)46-21-33(51)47-30(19-34(52)53)38(57)49-31(39(50)58)16-22-6-3-2-4-7-22/h2-4,6-7,9-14,17,20,28,30-32,45H,5,8,15-16,18-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,30-,31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human fibronectin binding to human integrin alpha5beta1 incubated for 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50518997 (CHEMBL4467703) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2ccc(cc2)-c2cccc3c(C[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C39H44N10O8/c40-34(53)28-17-24-19-44-33-25(8-4-9-26(24)33)22-11-13-23(14-12-22)35(54)47-27(10-5-15-43-39(41)42)36(55)45-20-31(50)46-30(18-32(51)52)38(57)49-29(37(56)48-28)16-21-6-2-1-3-7-21/h1-4,6-9,11-14,19,27-30,44H,5,10,15-18,20H2,(H2,40,53)(H,45,55)(H,46,50)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,41,42,43)/t27-,28+,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50518998 (CHEMBL4566518) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2cccc(c2)-c2cccc3c(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C30H35N9O7/c31-26(43)21-11-17-13-35-25-18(6-2-7-19(17)25)15-4-1-5-16(10-15)27(44)38-20(8-3-9-34-30(32)33)28(45)36-14-23(40)37-22(12-24(41)42)29(46)39-21/h1-2,4-7,10,13,20-22,35H,3,8-9,11-12,14H2,(H2,31,43)(H,36,45)(H,37,40)(H,38,44)(H,39,46)(H,41,42)(H4,32,33,34)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565943 (CHEMBL4787559) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519001 (CHEMBL4460607) Show SMILES CN1[C@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-25-20-45-34-26(9-5-10-27(25)34)23-12-14-24(15-13-23)36(55)48-28(11-6-16-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)17-22-7-3-2-4-8-22/h2-5,7-10,12-15,20,28-31,45H,6,11,16-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50565948 (CHEMBL4780301) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta8 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50565945 (CHEMBL4795994) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2c3ccccc3cc3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,wU:3.2,35.40,47.52,wD:7.7,(18.65,-11.81,;17.32,-12.59,;15.98,-11.81,;17.32,-14.13,;15.98,-14.9,;14.65,-14.13,;14.65,-12.59,;13.31,-14.9,;11.98,-14.13,;11.98,-12.59,;13.23,-11.69,;12.75,-10.22,;11.21,-10.22,;10.18,-9.08,;8.68,-9.39,;8.2,-10.86,;9.23,-12,;10.73,-11.69,;10.66,-7.61,;12.17,-7.3,;13.19,-8.44,;14.7,-8.13,;15.17,-6.66,;14.15,-5.53,;12.65,-5.84,;11.62,-4.69,;10.11,-5.01,;9.08,-3.87,;7.57,-4.19,;7.1,-5.67,;8.13,-6.8,;9.64,-6.48,;13.31,-16.44,;11.98,-17.21,;10.65,-16.44,;11.98,-18.75,;10.65,-19.52,;9.31,-18.75,;7.98,-19.52,;9.31,-17.21,;13.32,-19.52,;13.8,-20.99,;12.77,-22.13,;15.31,-21.3,;16.34,-20.16,;17.84,-20.48,;18.32,-21.95,;18.87,-19.34,;20.38,-19.65,;21.41,-18.52,;22.92,-18.83,;23.95,-17.69,;25.46,-18.01,;26.49,-16.87,;25.93,-19.48,;18.09,-17.83,;18.65,-14.9,;19.99,-14.13,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta6 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519010 (CHEMBL4592077) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C37H48N10O8/c1-47-28(33(38)52)17-23-19-42-32-22(10-5-12-24(23)32)11-6-14-29(48)44-25(13-7-15-41-37(39)40)34(53)43-20-30(49)45-26(18-31(50)51)35(54)46-27(36(47)55)16-21-8-3-2-4-9-21/h2-5,8-10,12,19,25-28,42H,6-7,11,13-18,20H2,1H3,(H2,38,52)(H,43,53)(H,44,48)(H,45,49)(H,46,54)(H,50,51)(H4,39,40,41)/t25-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519005 (CHEMBL4447682) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C38H50N10O8/c1-48-29(34(39)53)18-24-20-43-33-23(12-7-13-25(24)33)11-5-6-15-30(49)45-26(14-8-16-42-38(40)41)35(54)44-21-31(50)46-27(19-32(51)52)36(55)47-28(37(48)56)17-22-9-3-2-4-10-22/h2-4,7,9-10,12-13,20,26-29,43H,5-6,8,11,14-19,21H2,1H3,(H2,39,53)(H,44,54)(H,45,49)(H,46,50)(H,47,55)(H,51,52)(H4,40,41,42)/t26-,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50565942 (CHEMBL4790959) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2cccc(N)c2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta6 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50565943 (CHEMBL4787559) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta8 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519004 (CHEMBL4460801) Show SMILES CN1[C@H](Cc2c[nH]c3c(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc4ccccc4)C1=O)cccc23)C(N)=O |r| Show InChI InChI=1S/C39H52N10O8/c1-49-30(35(40)54)19-25-21-44-34-24(13-8-14-26(25)34)12-6-3-7-16-31(50)46-27(15-9-17-43-39(41)42)36(55)45-22-32(51)47-28(20-33(52)53)37(56)48-29(38(49)57)18-23-10-4-2-5-11-23/h2,4-5,8,10-11,13-14,21,27-30,44H,3,6-7,9,12,15-20,22H2,1H3,(H2,40,54)(H,45,55)(H,46,50)(H,47,51)(H,48,56)(H,52,53)(H4,41,42,43)/t27-,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565940 (CHEMBL4787835) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519000 (CHEMBL4572721) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2ccc(cc2)-c2cccc3c(C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C30H35N9O7/c31-26(43)21-11-17-13-35-25-18(3-1-4-19(17)25)15-6-8-16(9-7-15)27(44)38-20(5-2-10-34-30(32)33)28(45)36-14-23(40)37-22(12-24(41)42)29(46)39-21/h1,3-4,6-9,13,20-22,35H,2,5,10-12,14H2,(H2,31,43)(H,36,45)(H,37,40)(H,38,44)(H,39,46)(H,41,42)(H4,32,33,34)/t20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565941 (CHEMBL4798169) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3cc(Br)ccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565939 (CHEMBL4794071) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(I)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50565944 (CHEMBL4793182) Show SMILES COc1ccc(cc1)-c1cccc2c(C[C@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC3=O)C(C)C)c[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta6 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50565943 (CHEMBL4787559) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alphaVbeta6 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565937 (CHEMBL4782291) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(F)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50519007 (CHEMBL4447194) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2ccc(cc2)-c2ccc3c(C[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c3c2 |r| Show InChI InChI=1S/C39H44N10O8/c40-34(53)29-17-25-19-44-28-16-24(12-13-26(25)28)22-8-10-23(11-9-22)35(54)47-27(7-4-14-43-39(41)42)36(55)45-20-32(50)46-31(18-33(51)52)38(57)49-30(37(56)48-29)15-21-5-2-1-3-6-21/h1-3,5-6,8-13,16,19,27,29-31,44H,4,7,14-15,17-18,20H2,(H2,40,53)(H,45,55)(H,46,50)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,41,42,43)/t27-,29+,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50518995 (CHEMBL4468811) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2cccc(c2)-c2cccc3c(C[C@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C39H44N10O8/c40-34(53)28-17-24-19-44-33-25(11-5-12-26(24)33)22-9-4-10-23(16-22)35(54)47-27(13-6-14-43-39(41)42)36(55)45-20-31(50)46-30(18-32(51)52)38(57)49-29(37(56)48-28)15-21-7-2-1-3-8-21/h1-5,7-12,16,19,27-30,44H,6,13-15,17-18,20H2,(H2,40,53)(H,45,55)(H,46,50)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,41,42,43)/t27-,28-,29+,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50518996 (CHEMBL4465029) Show SMILES CN1[C@H](Cc2c[nH]c3c(cccc23)-c2ccccc2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-31(35(41)54)18-23-20-45-34-24(23)13-7-14-26(34)25-11-5-6-12-27(25)36(55)48-28(15-8-16-44-40(42)43)37(56)46-21-32(51)47-29(19-33(52)53)38(57)49-30(39(50)58)17-22-9-3-2-4-10-22/h2-7,9-14,20,28-31,45H,8,15-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565944 (CHEMBL4793182) Show SMILES COc1ccc(cc1)-c1cccc2c(C[C@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC3=O)C(C)C)c[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50565933 (CHEMBL4798049) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(Br)cccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01536 BindingDB Entry DOI: 10.7270/Q2FX7F74
					More data for this Ligand-Target Pair

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