Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50007917   

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))	BDBM50513974 (CHEMBL4513624) Show SMILES OC(=O)C[C@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513966 (CHEMBL4468875) Show SMILES OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)20(12-21(30)31)29-23-26-13-19(14-27-23)32-11-9-18-8-5-16-2-1-10-25-22(16)28-18/h3-8,13-14,20H,1-2,9-12H2,(H,25,28)(H,30,31)(H,26,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513980 (CHEMBL4451803) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1cccc(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-19-5-1-3-18(15-19)23(16-24(30)31)28-20-8-10-22(11-9-20)32-14-12-21-7-6-17-4-2-13-27-25(17)29-21/h1,3,5-11,15,23,28H,2,4,12-14,16H2,(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513988 (CHEMBL4445933) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H30N4O4/c35-29(36)19-27(21-9-12-25(13-10-21)38-24-6-2-1-3-7-24)34-28-15-14-26(20-32-28)37-18-16-23-11-8-22-5-4-17-31-30(22)33-23/h1-3,6-15,20,27H,4-5,16-19H2,(H,31,33)(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513970 (CHEMBL4557585) Show SMILES OC(=O)CC(Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513976 (CHEMBL4539942) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)19(14-22(30)31)27-20-9-10-21(29-28-20)32-13-11-18-8-5-16-2-1-12-25-23(16)26-18/h3-10,19H,1-2,11-14H2,(H,25,26)(H,27,28)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513973 (CHEMBL4458205) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Br)c1 Show InChI InChI=1S/C24H25BrN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513977 (CHEMBL4588580) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-6-3-16(4-7-18)21(14-23(30)31)29-22-10-9-20(15-27-22)32-13-11-19-8-5-17-2-1-12-26-24(17)28-19/h3-10,15,21H,1-2,11-14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513967 (CHEMBL4443365) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C29H35N5O4/c35-28(36)18-26(22-5-3-21(4-6-22)20-34-13-16-37-17-14-34)33-27-10-9-25(19-31-27)38-15-11-24-8-7-23-2-1-12-30-29(23)32-24/h3-10,19,26H,1-2,11-18,20H2,(H,30,32)(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513968 (CHEMBL4461155) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513986 (CHEMBL4557460) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(c1)C1CC1 Show InChI InChI=1S/C27H30N4O3/c32-26(33)16-24(21-4-1-3-20(15-21)18-6-7-18)31-25-11-10-23(17-29-25)34-14-12-22-9-8-19-5-2-13-28-27(19)30-22/h1,3-4,8-11,15,17-18,24H,2,5-7,12-14,16H2,(H,28,30)(H,29,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513972 (CHEMBL4450454) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H35N5O4/c35-28(36)18-26(23-4-1-3-21(17-23)20-34-12-15-37-16-13-34)33-27-9-8-25(19-31-27)38-14-10-24-7-6-22-5-2-11-30-29(22)32-24/h1,3-4,6-9,17,19,26H,2,5,10-16,18,20H2,(H,30,32)(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513984 (CHEMBL4547961) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(F)c1 Show InChI InChI=1S/C24H25FN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513979 (CHEMBL4543688) Show SMILES OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(11-17)20(12-21(30)31)29-23-26-13-19(14-27-23)32-10-8-18-7-6-15-4-2-9-25-22(15)28-18/h1,3,5-7,11,13-14,20H,2,4,8-10,12H2,(H,25,28)(H,30,31)(H,26,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513989 (CHEMBL4529675) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513974 (CHEMBL4513624) Show SMILES OC(=O)C[C@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513982 (CHEMBL4440801) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)nc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)20(12-21(30)31)28-19-13-26-23(27-14-19)32-11-9-18-8-5-16-2-1-10-25-22(16)29-18/h3-8,13-14,20,28H,1-2,9-12H2,(H,25,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513985 (CHEMBL4518027) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O3/c26-25(27,28)18-6-3-16(4-7-18)21(14-23(33)34)32-22-10-9-20(15-30-22)35-13-11-19-8-5-17-2-1-12-29-24(17)31-19/h3-10,15,21H,1-2,11-14H2,(H,29,31)(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513969 (CHEMBL4435701) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nc1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)28-20-8-9-22(27-15-20)32-12-10-19-7-6-16-4-2-11-26-24(16)29-19/h1,3,5-9,13,15,21,28H,2,4,10-12,14H2,(H,26,29)(H,30,31)	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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513988 (CHEMBL4445933) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H30N4O4/c35-29(36)19-27(21-9-12-25(13-10-21)38-24-6-2-1-3-7-24)34-28-15-14-26(20-32-28)37-18-16-23-11-8-22-5-4-17-31-30(22)33-23/h1-3,6-15,20,27H,4-5,16-19H2,(H,31,33)(H,32,34)(H,35,36)	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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513986 (CHEMBL4557460) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(c1)C1CC1 Show InChI InChI=1S/C27H30N4O3/c32-26(33)16-24(21-4-1-3-20(15-21)18-6-7-18)31-25-11-10-23(17-29-25)34-14-12-22-9-8-19-5-2-13-28-27(19)30-22/h1,3-4,8-11,15,17-18,24H,2,5-7,12-14,16H2,(H,28,30)(H,29,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513968 (CHEMBL4461155) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513976 (CHEMBL4539942) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)19(14-22(30)31)27-20-9-10-21(29-28-20)32-13-11-18-8-5-16-2-1-12-25-23(16)26-18/h3-10,19H,1-2,11-14H2,(H,25,26)(H,27,28)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513967 (CHEMBL4443365) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C29H35N5O4/c35-28(36)18-26(22-5-3-21(4-6-22)20-34-13-16-37-17-14-34)33-27-10-9-25(19-31-27)38-15-11-24-8-7-23-2-1-12-30-29(23)32-24/h3-10,19,26H,1-2,11-18,20H2,(H,30,32)(H,31,33)(H,35,36)	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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513984 (CHEMBL4547961) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(F)c1 Show InChI InChI=1S/C24H25FN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)	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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513977 (CHEMBL4588580) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-6-3-16(4-7-18)21(14-23(30)31)29-22-10-9-20(15-27-22)32-13-11-19-8-5-17-2-1-12-26-24(17)28-19/h3-10,15,21H,1-2,11-14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513978 (CHEMBL4451540) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-6-3-16(4-7-18)21(14-23(30)31)28-20-9-10-22(27-15-20)32-13-11-19-8-5-17-2-1-12-26-24(17)29-19/h3-10,15,21,28H,1-2,11-14H2,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513987 (CHEMBL4440536) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)nc1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(11-17)20(12-21(30)31)28-19-13-26-23(27-14-19)32-10-8-18-7-6-15-4-2-9-25-22(15)29-18/h1,3,5-7,11,13-14,20,28H,2,4,8-10,12H2,(H,25,29)(H,30,31)	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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513989 (CHEMBL4529675) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)	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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513972 (CHEMBL4450454) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H35N5O4/c35-28(36)18-26(23-4-1-3-21(17-23)20-34-12-15-37-16-13-34)33-27-9-8-25(19-31-27)38-14-10-24-7-6-22-5-2-11-30-29(22)32-24/h1,3-4,6-9,17,19,26H,2,5,10-16,18,20H2,(H,30,32)(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513985 (CHEMBL4518027) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O3/c26-25(27,28)18-6-3-16(4-7-18)21(14-23(33)34)32-22-10-9-20(15-30-22)35-13-11-19-8-5-17-2-1-12-29-24(17)31-19/h3-10,15,21H,1-2,11-14H2,(H,29,31)(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513973 (CHEMBL4458205) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Br)c1 Show InChI InChI=1S/C24H25BrN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)29-22-9-8-20(15-27-22)32-12-10-19-7-6-16-4-2-11-26-24(16)28-19/h1,3,5-9,13,15,21H,2,4,10-12,14H2,(H,26,28)(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513980 (CHEMBL4451803) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1cccc(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-19-5-1-3-18(15-19)23(16-24(30)31)28-20-8-10-22(11-9-20)32-14-12-21-7-6-17-4-2-13-27-25(17)29-21/h1,3,5-11,15,23,28H,2,4,12-14,16H2,(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513966 (CHEMBL4468875) Show SMILES OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)20(12-21(30)31)29-23-26-13-19(14-27-23)32-11-9-18-8-5-16-2-1-10-25-22(16)28-18/h3-8,13-14,20H,1-2,9-12H2,(H,25,28)(H,30,31)(H,26,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513971 (CHEMBL4450469) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cc(cc(c1)C1CC1)C1CC1 Show InChI InChI=1S/C30H34N4O3/c35-29(36)17-27(24-15-22(19-3-4-19)14-23(16-24)20-5-6-20)34-28-10-9-26(18-32-28)37-13-11-25-8-7-21-2-1-12-31-30(21)33-25/h7-10,14-16,18-20,27H,1-6,11-13,17H2,(H,31,33)(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513979 (CHEMBL4543688) Show SMILES OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(11-17)20(12-21(30)31)29-23-26-13-19(14-27-23)32-10-8-18-7-6-15-4-2-9-25-22(15)28-18/h1,3,5-7,11,13-14,20H,2,4,8-10,12H2,(H,25,28)(H,30,31)(H,26,27,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513983 (CHEMBL4471108) Show SMILES OC(=O)C[C@@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513982 (CHEMBL4440801) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)nc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)20(12-21(30)31)28-19-13-26-23(27-14-19)32-11-9-18-8-5-16-2-1-10-25-22(16)29-18/h3-8,13-14,20,28H,1-2,9-12H2,(H,25,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513971 (CHEMBL4450469) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cc(cc(c1)C1CC1)C1CC1 Show InChI InChI=1S/C30H34N4O3/c35-29(36)17-27(24-15-22(19-3-4-19)14-23(16-24)20-5-6-20)34-28-10-9-26(18-32-28)37-13-11-25-8-7-21-2-1-12-31-30(21)33-25/h7-10,14-16,18-20,27H,1-6,11-13,17H2,(H,31,33)(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513969 (CHEMBL4435701) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nc1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-5-1-3-17(13-18)21(14-23(30)31)28-20-8-9-22(27-15-20)32-12-10-19-7-6-16-4-2-11-26-24(16)29-19/h1,3,5-9,13,15,21,28H,2,4,10-12,14H2,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513987 (CHEMBL4440536) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)nc1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(11-17)20(12-21(30)31)28-19-13-26-23(27-14-19)32-10-8-18-7-6-15-4-2-9-25-22(15)29-18/h1,3,5-7,11,13-14,20,28H,2,4,8-10,12H2,(H,25,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513983 (CHEMBL4471108) Show SMILES OC(=O)C[C@@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513978 (CHEMBL4451540) Show SMILES OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN4O3/c25-18-6-3-16(4-7-18)21(14-23(30)31)28-20-9-10-22(27-15-20)32-13-11-19-8-5-17-2-1-12-26-24(17)29-19/h3-10,15,21,28H,1-2,11-14H2,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513970 (CHEMBL4557585) Show SMILES OC(=O)CC(Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513981 (CHEMBL4592010) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(11-17)19(12-22(30)31)29-20-13-27-21(14-26-20)32-10-8-18-7-6-15-4-2-9-25-23(15)28-18/h1,3,5-7,11,13-14,19H,2,4,8-10,12H2,(H,25,28)(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50513975 (CHEMBL4483501) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)19(12-22(30)31)29-20-13-27-21(14-26-20)32-11-9-18-8-5-16-2-1-10-25-23(16)28-18/h3-8,13-14,19H,1-2,9-12H2,(H,25,28)(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513981 (CHEMBL4592010) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(11-17)19(12-22(30)31)29-20-13-27-21(14-26-20)32-10-8-18-7-6-15-4-2-9-25-23(15)28-18/h1,3,5-7,11,13-14,19H,2,4,8-10,12H2,(H,25,28)(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50513975 (CHEMBL4483501) Show SMILES OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)19(12-22(30)31)29-20-13-27-21(14-26-20)32-11-9-18-8-5-16-2-1-10-25-23(16)28-18/h3-8,13-14,19H,1-2,9-12H2,(H,25,28)(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins follo...				J Med Chem 62: 8796-8808 (2019) Article DOI: 10.1021/acs.jmedchem.9b00962 BindingDB Entry DOI: 10.7270/Q2WQ0752
					More data for this Ligand-Target Pair