Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'sanjayan' and Initial = 'gj'   

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))	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
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					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
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50545184 (CHEMBL4642869) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C28H40N8O7.C2HF3O2/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28;3-2(4,5)1(6)7/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31);(H,6,7)/t18-,19+,20-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50545181 (CHEMBL4633117) Show SMILES OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C25H36N8O7.C2HF3O2/c1-25(2)23(40)32-15(9-6-10-28-24(26)27)20(37)29-13-18(34)30-17(12-19(35)36)21(38)31-16(22(39)33-25)11-14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-5,7-8,15-17H,6,9-13H2,1-2H3,(H,29,37)(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)(H4,26,27,28);(H,6,7)/t15-,16+,17-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50545180 (CHEMBL4643939) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)CC2(CCCCC2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C30H44N8O7.C2HF3O2/c31-29(32)33-13-7-10-20-26(43)34-17-24(40)37-22(15-25(41)42)28(45)38-21(14-19-8-3-1-4-9-19)27(44)35-18-30(16-23(39)36-20)11-5-2-6-12-30;3-2(4,5)1(6)7/h1,3-4,8-9,20-22H,2,5-7,10-18H2,(H,34,43)(H,35,44)(H,36,39)(H,37,40)(H,38,45)(H,41,42)(H4,31,32,33);(H,6,7)/t20-,21+,22-;/m0./s1	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
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50545183 (CHEMBL4648191) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]12[#6][Si;v4]([#6])([#6])[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#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]2=O |r| Show InChI InChI=1S/C27H40N8O7Si.C2HF3O2/c1-43(2)14-20-25(41)33-17(9-6-10-30-27(28)29)23(39)31-13-21(36)32-18(12-22(37)38)24(40)34-19(26(42)35(20)15-43)11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-5,7-8,17-20H,6,9-15H2,1-2H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,20+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					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
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50429461 (CHEMBL2332369) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C43H77N15O17/c1-18(2)13-24(35(68)51-23(10-8-12-50-43(47)48)34(67)58-32(21(6)61)41(74)75)53-39(72)28(17-59)56-38(71)26(15-29(62)63)54-36(69)25(14-19(3)4)52-37(70)27(16-30(64)65)55-40(73)31(20(5)60)57-33(66)22(44)9-7-11-49-42(45)46/h18-28,31-32,59-61H,7-17,44H2,1-6H3,(H,51,68)(H,52,70)(H,53,72)(H,54,69)(H,55,73)(H,56,71)(H,57,66)(H,58,67)(H,62,63)(H,64,65)(H,74,75)(H4,45,46,49)(H4,47,48,50)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,31+,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50545181 (CHEMBL4633117) Show SMILES OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C25H36N8O7.C2HF3O2/c1-25(2)23(40)32-15(9-6-10-28-24(26)27)20(37)29-13-18(34)30-17(12-19(35)36)21(38)31-16(22(39)33-25)11-14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-5,7-8,15-17H,6,9-13H2,1-2H3,(H,29,37)(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)(H4,26,27,28);(H,6,7)/t15-,16+,17-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50545184 (CHEMBL4642869) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C28H40N8O7.C2HF3O2/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28;3-2(4,5)1(6)7/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31);(H,6,7)/t18-,19+,20-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50545183 (CHEMBL4648191) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]12[#6][Si;v4]([#6])([#6])[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#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]2=O |r| Show InChI InChI=1S/C27H40N8O7Si.C2HF3O2/c1-43(2)14-20-25(41)33-17(9-6-10-30-27(28)29)23(39)31-13-21(36)32-18(12-22(37)38)24(40)34-19(26(42)35(20)15-43)11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-5,7-8,17-20H,6,9-15H2,1-2H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,20+;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50545182 (CHEMBL4636873) Show SMILES OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2 |r| Show InChI InChI=1S/C29H36N8O8.C2HF3O2/c1-45-24-17-9-5-10-18(24)35-27(43)20(13-16-7-3-2-4-8-16)37-28(44)21(14-23(39)40)34-22(38)15-33-26(42)19(36-25(17)41)11-6-12-32-29(30)31;3-2(4,5)1(6)7/h2-5,7-10,19-21H,6,11-15H2,1H3,(H,33,42)(H,34,38)(H,35,43)(H,36,41)(H,37,44)(H,39,40)(H4,30,31,32);(H,6,7)/t19-,20+,21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50545184 (CHEMBL4642869) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C28H40N8O7.C2HF3O2/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28;3-2(4,5)1(6)7/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31);(H,6,7)/t18-,19+,20-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50429461 (CHEMBL2332369) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C43H77N15O17/c1-18(2)13-24(35(68)51-23(10-8-12-50-43(47)48)34(67)58-32(21(6)61)41(74)75)53-39(72)28(17-59)56-38(71)26(15-29(62)63)54-36(69)25(14-19(3)4)52-37(70)27(16-30(64)65)55-40(73)31(20(5)60)57-33(66)22(44)9-7-11-49-42(45)46/h18-28,31-32,59-61H,7-17,44H2,1-6H3,(H,51,68)(H,52,70)(H,53,72)(H,54,69)(H,55,73)(H,56,71)(H,57,66)(H,58,67)(H,62,63)(H,64,65)(H,74,75)(H4,45,46,49)(H4,47,48,50)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,31+,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50545181 (CHEMBL4633117) Show SMILES OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C25H36N8O7.C2HF3O2/c1-25(2)23(40)32-15(9-6-10-28-24(26)27)20(37)29-13-18(34)30-17(12-19(35)36)21(38)31-16(22(39)33-25)11-14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-5,7-8,15-17H,6,9-13H2,1-2H3,(H,29,37)(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)(H4,26,27,28);(H,6,7)/t15-,16+,17-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50545183 (CHEMBL4648191) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]12[#6][Si;v4]([#6])([#6])[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#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]2=O |r| Show InChI InChI=1S/C27H40N8O7Si.C2HF3O2/c1-43(2)14-20-25(41)33-17(9-6-10-30-27(28)29)23(39)31-13-21(36)32-18(12-22(37)38)24(40)34-19(26(42)35(20)15-43)11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-5,7-8,17-20H,6,9-15H2,1-2H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,20+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50545180 (CHEMBL4643939) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)CC2(CCCCC2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C30H44N8O7.C2HF3O2/c31-29(32)33-13-7-10-20-26(43)34-17-24(40)37-22(15-25(41)42)28(45)38-21(14-19-8-3-1-4-9-19)27(44)35-18-30(16-23(39)36-20)11-5-2-6-12-30;3-2(4,5)1(6)7/h1,3-4,8-9,20-22H,2,5-7,10-18H2,(H,34,43)(H,35,44)(H,36,39)(H,37,40)(H,38,45)(H,41,42)(H4,31,32,33);(H,6,7)/t20-,21+,22-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50545183 (CHEMBL4648191) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]12[#6][Si;v4]([#6])([#6])[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#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]2=O |r| Show InChI InChI=1S/C27H40N8O7Si.C2HF3O2/c1-43(2)14-20-25(41)33-17(9-6-10-30-27(28)29)23(39)31-13-21(36)32-18(12-22(37)38)24(40)34-19(26(42)35(20)15-43)11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-5,7-8,17-20H,6,9-15H2,1-2H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,20+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50545181 (CHEMBL4633117) Show SMILES OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C25H36N8O7.C2HF3O2/c1-25(2)23(40)32-15(9-6-10-28-24(26)27)20(37)29-13-18(34)30-17(12-19(35)36)21(38)31-16(22(39)33-25)11-14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-5,7-8,15-17H,6,9-13H2,1-2H3,(H,29,37)(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)(H4,26,27,28);(H,6,7)/t15-,16+,17-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50545184 (CHEMBL4642869) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C28H40N8O7.C2HF3O2/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28;3-2(4,5)1(6)7/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31);(H,6,7)/t18-,19+,20-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50545180 (CHEMBL4643939) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)CC2(CCCCC2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C30H44N8O7.C2HF3O2/c31-29(32)33-13-7-10-20-26(43)34-17-24(40)37-22(15-25(41)42)28(45)38-21(14-19-8-3-1-4-9-19)27(44)35-18-30(16-23(39)36-20)11-5-2-6-12-30;3-2(4,5)1(6)7/h1,3-4,8-9,20-22H,2,5-7,10-18H2,(H,34,43)(H,35,44)(H,36,39)(H,37,40)(H,38,45)(H,41,42)(H4,31,32,33);(H,6,7)/t20-,21+,22-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	623	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50545180 (CHEMBL4643939) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)CC2(CCCCC2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C30H44N8O7.C2HF3O2/c31-29(32)33-13-7-10-20-26(43)34-17-24(40)37-22(15-25(41)42)28(45)38-21(14-19-8-3-1-4-9-19)27(44)35-18-30(16-23(39)36-20)11-5-2-6-12-30;3-2(4,5)1(6)7/h1,3-4,8-9,20-22H,2,5-7,10-18H2,(H,34,43)(H,35,44)(H,36,39)(H,37,40)(H,38,45)(H,41,42)(H4,31,32,33);(H,6,7)/t20-,21+,22-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	657	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50545182 (CHEMBL4636873) Show SMILES OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2 |r| Show InChI InChI=1S/C29H36N8O8.C2HF3O2/c1-45-24-17-9-5-10-18(24)35-27(43)20(13-16-7-3-2-4-8-16)37-28(44)21(14-23(39)40)34-22(38)15-33-26(42)19(36-25(17)41)11-6-12-32-29(30)31;3-2(4,5)1(6)7/h2-5,7-10,19-21H,6,11-15H2,1H3,(H,33,42)(H,34,38)(H,35,43)(H,36,41)(H,37,44)(H,39,40)(H4,30,31,32);(H,6,7)/t19-,20+,21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	709	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50545181 (CHEMBL4633117) Show SMILES OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C25H36N8O7.C2HF3O2/c1-25(2)23(40)32-15(9-6-10-28-24(26)27)20(37)29-13-18(34)30-17(12-19(35)36)21(38)31-16(22(39)33-25)11-14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-5,7-8,15-17H,6,9-13H2,1-2H3,(H,29,37)(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)(H4,26,27,28);(H,6,7)/t15-,16+,17-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	806	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50545182 (CHEMBL4636873) Show SMILES OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2 |r| Show InChI InChI=1S/C29H36N8O8.C2HF3O2/c1-45-24-17-9-5-10-18(24)35-27(43)20(13-16-7-3-2-4-8-16)37-28(44)21(14-23(39)40)34-22(38)15-33-26(42)19(36-25(17)41)11-6-12-32-29(30)31;3-2(4,5)1(6)7/h2-5,7-10,19-21H,6,11-15H2,1H3,(H,33,42)(H,34,38)(H,35,43)(H,36,41)(H,37,44)(H,39,40)(H4,30,31,32);(H,6,7)/t19-,20+,21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	921	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50545183 (CHEMBL4648191) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]12[#6][Si;v4]([#6])([#6])[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#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]2=O |r| Show InChI InChI=1S/C27H40N8O7Si.C2HF3O2/c1-43(2)14-20-25(41)33-17(9-6-10-30-27(28)29)23(39)31-13-21(36)32-18(12-22(37)38)24(40)34-19(26(42)35(20)15-43)11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-5,7-8,17-20H,6,9-15H2,1-2H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,20+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50545184 (CHEMBL4642869) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C28H40N8O7.C2HF3O2/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28;3-2(4,5)1(6)7/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31);(H,6,7)/t18-,19+,20-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50545180 (CHEMBL4643939) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)CC2(CCCCC2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C30H44N8O7.C2HF3O2/c31-29(32)33-13-7-10-20-26(43)34-17-24(40)37-22(15-25(41)42)28(45)38-21(14-19-8-3-1-4-9-19)27(44)35-18-30(16-23(39)36-20)11-5-2-6-12-30;3-2(4,5)1(6)7/h1,3-4,8-9,20-22H,2,5-7,10-18H2,(H,34,43)(H,35,44)(H,36,39)(H,37,40)(H,38,45)(H,41,42)(H4,31,32,33);(H,6,7)/t20-,21+,22-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50545180 (CHEMBL4643939) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)CC2(CCCCC2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C30H44N8O7.C2HF3O2/c31-29(32)33-13-7-10-20-26(43)34-17-24(40)37-22(15-25(41)42)28(45)38-21(14-19-8-3-1-4-9-19)27(44)35-18-30(16-23(39)36-20)11-5-2-6-12-30;3-2(4,5)1(6)7/h1,3-4,8-9,20-22H,2,5-7,10-18H2,(H,34,43)(H,35,44)(H,36,39)(H,37,40)(H,38,45)(H,41,42)(H4,31,32,33);(H,6,7)/t20-,21+,22-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50545182 (CHEMBL4636873) Show SMILES OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2 |r| Show InChI InChI=1S/C29H36N8O8.C2HF3O2/c1-45-24-17-9-5-10-18(24)35-27(43)20(13-16-7-3-2-4-8-16)37-28(44)21(14-23(39)40)34-22(38)15-33-26(42)19(36-25(17)41)11-6-12-32-29(30)31;3-2(4,5)1(6)7/h2-5,7-10,19-21H,6,11-15H2,1H3,(H,33,42)(H,34,38)(H,35,43)(H,36,41)(H,37,44)(H,39,40)(H4,30,31,32);(H,6,7)/t19-,20+,21-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50545182 (CHEMBL4636873) Show SMILES OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2 |r| Show InChI InChI=1S/C29H36N8O8.C2HF3O2/c1-45-24-17-9-5-10-18(24)35-27(43)20(13-16-7-3-2-4-8-16)37-28(44)21(14-23(39)40)34-22(38)15-33-26(42)19(36-25(17)41)11-6-12-32-29(30)31;3-2(4,5)1(6)7/h2-5,7-10,19-21H,6,11-15H2,1H3,(H,33,42)(H,34,38)(H,35,43)(H,36,41)(H,37,44)(H,39,40)(H4,30,31,32);(H,6,7)/t19-,20+,21-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO c...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50545182 (CHEMBL4636873) Show SMILES OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2 |r| Show InChI InChI=1S/C29H36N8O8.C2HF3O2/c1-45-24-17-9-5-10-18(24)35-27(43)20(13-16-7-3-2-4-8-16)37-28(44)21(14-23(39)40)34-22(38)15-33-26(42)19(36-25(17)41)11-6-12-32-29(30)31;3-2(4,5)1(6)7/h2-5,7-10,19-21H,6,11-15H2,1H3,(H,33,42)(H,34,38)(H,35,43)(H,36,41)(H,37,44)(H,39,40)(H4,30,31,32);(H,6,7)/t19-,20+,21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 resi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50545183 (CHEMBL4648191) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]12[#6][Si;v4]([#6])([#6])[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#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]2=O |r| Show InChI InChI=1S/C27H40N8O7Si.C2HF3O2/c1-43(2)14-20-25(41)33-17(9-6-10-30-27(28)29)23(39)31-13-21(36)32-18(12-22(37)38)24(40)34-19(26(42)35(20)15-43)11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-5,7-8,17-20H,6,9-15H2,1-2H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,20+;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50545184 (CHEMBL4642869) Show SMILES OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r| Show InChI InChI=1S/C28H40N8O7.C2HF3O2/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28;3-2(4,5)1(6)7/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31);(H,6,7)/t18-,19+,20-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50545181 (CHEMBL4633117) Show SMILES OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C25H36N8O7.C2HF3O2/c1-25(2)23(40)32-15(9-6-10-28-24(26)27)20(37)29-13-18(34)30-17(12-19(35)36)21(38)31-16(22(39)33-25)11-14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-5,7-8,15-17H,6,9-13H2,1-2H3,(H,29,37)(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)(H4,26,27,28);(H,6,7)/t15-,16+,17-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127039 BindingDB Entry DOI: 10.7270/Q2RJ4P16
					More data for this Ligand-Target Pair