Compile Data Set for Download or QSAR

Found 648 hits with Last Name = 'nagarajan' and Initial = 's'   

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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257011 ((S)-7-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-5-(...) Show SMILES Oc1cccc(OCC2CC2)c1-c1cc([C@@H]2CCCNC2)c2COC(=O)Nc2n1 |r| Show InChI InChI=1S/C22H25N3O4/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKKbeta (unknown origin) by TR-FRET assay				Bioorg Med Chem 17: 2759-66 (2009) Article DOI: 10.1016/j.bmc.2009.02.041 BindingDB Entry DOI: 10.7270/Q2MW2H1K
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Candida albicans N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50034988 (11-Amino-undecanoic acid {(S)-1-[(S)-5-amino-1-(2-...) Show SMILES NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C28H55N5O4/c29-19-12-6-4-2-1-3-5-10-17-26(35)32-25(22-34)28(37)33-24(16-11-13-20-30)27(36)31-21-18-23-14-8-7-9-15-23/h23-25,34H,1-22,29-30H2,(H,31,36)(H,32,35)(H,33,37)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Candida albicans N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50034988 (11-Amino-undecanoic acid {(S)-1-[(S)-5-amino-1-(2-...) Show SMILES NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C28H55N5O4/c29-19-12-6-4-2-1-3-5-10-17-26(35)32-25(22-34)28(37)33-24(16-11-13-20-30)27(36)31-21-18-23-14-8-7-9-15-23/h23-25,34H,1-22,29-30H2,(H,31,36)(H,32,35)(H,33,37)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Human NMT.				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50470170 (CHEMBL54883) Show SMILES NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCCCC1 Show InChI InChI=1S/C30H59N5O4/c31-21-14-9-4-2-1-3-8-12-19-28(37)34-27(24-36)30(39)35-26(18-13-15-22-32)29(38)33-23-20-25-16-10-6-5-7-11-17-25/h25-27,36H,1-24,31-32H2,(H,33,38)(H,34,37)(H,35,39)/t26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Candida albicans N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50470169 (CHEMBL294596) Show SMILES NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(CCCCn2ccnc2)cc1)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C32H50N6O4/c33-17-6-4-11-28(31(41)35-18-16-25-8-2-1-3-9-25)37-32(42)29(23-39)36-30(40)22-27-14-12-26(13-15-27)10-5-7-20-38-21-19-34-24-38/h12-15,19,21,24-25,28-29,39H,1-11,16-18,20,22-23,33H2,(H,35,41)(H,36,40)(H,37,42)/t28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Candida albicans N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50470171 (CHEMBL299249) Show SMILES NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCn1ccnc1)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C31H56N6O4/c32-19-12-11-16-27(30(40)34-20-18-26-14-8-7-9-15-26)36-31(41)28(24-38)35-29(39)17-10-5-3-1-2-4-6-13-22-37-23-21-33-25-37/h21,23,25-28,38H,1-20,22,24,32H2,(H,34,40)(H,35,39)(H,36,41)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Candida albicans N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50470171 (CHEMBL299249) Show SMILES NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCn1ccnc1)C(=O)NCCC1CCCCC1 Show InChI InChI=1S/C31H56N6O4/c32-19-12-11-16-27(30(40)34-20-18-26-14-8-7-9-15-26)36-31(41)28(24-38)35-29(39)17-10-5-3-1-2-4-6-13-22-37-23-21-33-25-37/h21,23,25-28,38H,1-20,22,24,32H2,(H,34,40)(H,35,39)(H,36,41)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Human NMT.				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209479 ((beta1S)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C22H22BrClFN5O5/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209482 ((3S)-3-(5-chloro-2-hydroxy-3-methylphenyl)-3-(2-(3...) Show SMILES [#6]-c1cc(Cl)cc(-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c2cc(-[#8])cc(c2)\[#7]=[#6]-2\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-2)c1-[#8] Show InChI InChI=1S/C23H26ClN5O7/c1-11-2-13(24)5-17(21(11)35)18(7-20(33)34)29-19(32)10-25-22(36)12-3-14(6-15(30)4-12)28-23-26-8-16(31)9-27-23/h2-6,16,18,30-31,35H,7-10H2,1H3,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209459 ((3R)-3-(2-(3-amino-5-(5-hydroxy-1,4,5,6-tetrahydro...) Show SMILES [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1 Show InChI InChI=1S/C22H24ClIN6O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-12(25)5-13(2-10)29-22-27-7-14(31)8-28-22/h1-5,14,17,31,35H,6-9,25H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209446 ((3S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-h...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8] Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209471 ((3S)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8] Show InChI InChI=1S/C21H22BrClN6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209124 ((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...) Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3| Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209461 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C21H22BrClN6O6/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209124 ((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...) Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3| Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209124 ((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...) Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3| Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209441 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C21H21BrClFN6O5/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209131 (4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...) Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209132 ((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...) Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209450 ((beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C22H22BrClFN5O6/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209456 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C22H23BrClN5O6/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209121 ((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...) Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209121 ((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...) Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209428 ((3R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C21H21BrClFN6O5/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209475 ((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-h...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8] Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209486 ((S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-hydro...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8] Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-6-15(20(34)16(24)7-12)17(9-19(32)33)29-18(31)10-27-21(35)11-4-13(8-14(30)5-11)28-22-25-2-1-3-26-22/h4-8,17,30,34H,1-3,9-10H2,(H,27,35)(H,29,31)(H,32,33)(H2,25,26,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209463 ((beta1S)-3,5-dichloro-b-[[[[3-[(5-hydroxy-1,4,5,6-...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8] Show InChI InChI=1S/C22H23Cl2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209120 ((2-{3-hydroxy-4-[2-(5,6,7,8-tetrahydro-1,8-naphthy...) Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O4/c24-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-22-21(13)23-16/h3-6,11,15,17,24H,1-2,7-10,12H2,(H,22,23)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209431 ((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8] Show InChI InChI=1S/C22H22Cl2FN5O5/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209120 ((2-{3-hydroxy-4-[2-(5,6,7,8-tetrahydro-1,8-naphthy...) Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O4/c24-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-22-21(13)23-16/h3-6,11,15,17,24H,1-2,7-10,12H2,(H,22,23)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209488 ((3S)-3-(2-hydroxy-3,5-dimethylphenyl)-3-(2-(3-hydr...) Show SMILES [#6]-c1cc(-[#6])c(-[#8])c(c1)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1 Show InChI InChI=1S/C24H29N5O7/c1-12-3-13(2)22(35)18(4-12)19(8-21(33)34)29-20(32)11-25-23(36)14-5-15(7-16(30)6-14)28-24-26-9-17(31)10-27-24/h3-7,17,19,30-31,35H,8-11H2,1-2H3,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209489 ((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8] Show InChI InChI=1S/C21H21Cl2FN6O5/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209425 ((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8] Show InChI InChI=1S/C21H22BrClN6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209448 ((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8] Show InChI InChI=1S/C22H22Cl2FN5O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209477 ((beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C22H22BrClFN5O5/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209481 ((3R)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8] Show InChI InChI=1S/C21H22ClIN6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209483 ((beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C22H22BrClFN5O6/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209439 ((3R)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8] Show InChI InChI=1S/C22H23ClIN5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209460 ((3R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C21H22BrClN6O6/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209125 ((2,2-dichloro-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...) Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Cl)Cl |w:5.5,4.3| Show InChI InChI=1S/C21H22Cl2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209487 ((3S)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8] Show InChI InChI=1S/C22H23ClIN5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209125 ((2,2-dichloro-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...) Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Cl)Cl |w:5.5,4.3| Show InChI InChI=1S/C21H22Cl2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209122 ((2,2-dibromo-3-{4-[2-(5,6,7,8-tetrahydro-1,8-napht...) Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3| Show InChI InChI=1S/C21H22Br2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209131 (4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...) Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209438 ((3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(5-hy...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8] Show InChI InChI=1S/C21H22Br2N6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209452 ((S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-(...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C22H23BrClN5O5/c23-16-9-13(24)8-15(20(16)33)17(10-19(31)32)29-18(30)11-27-21(34)12-3-1-4-14(7-12)28-22-25-5-2-6-26-22/h1,3-4,7-9,17,33H,2,5-6,10-11H2,(H,27,34)(H,29,30)(H,31,32)(H2,25,26,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209469 ((S)-3-bromo-5-chloro-2-hydroxy-b-[[2-[[[3-hydroxy-...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8] Show InChI InChI=1S/C22H23BrClN5O6/c23-16-7-12(24)6-15(20(16)34)17(9-19(32)33)29-18(31)10-27-21(35)11-4-13(8-14(30)5-11)28-22-25-2-1-3-26-22/h4-8,17,30,34H,1-3,9-10H2,(H,27,35)(H,29,31)(H,32,33)(H2,25,26,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209133 ((2-{2,3-difluoro-4-[2-(5,6,7,8-tetrahydro-1,8-naph...) Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1F |w:6.7,4.3| Show InChI InChI=1S/C21H22F2N2O3/c22-19-15(16-10-13(16)11-18(26)27)5-6-17(20(19)23)28-9-7-14-4-3-12-2-1-8-24-21(12)25-14/h3-6,13,16H,1-2,7-11H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay				Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209453 ((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...) Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Cl)c1-[#8] Show InChI InChI=1S/C22H22BrClFN5O5/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair

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