Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'ihle' and Initial = 'nc'   

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))	BDBM50092512 (2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092511 (3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092511 (3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092512 (2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107397 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092508 (2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092508 (2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107399 ((S)-3-(2-{(R)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107403 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCCC(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C25H31N5O4/c31-22(29-21(14-23(32)33)19-5-1-11-26-15-19)16-30-13-3-6-18(25(30)34)8-10-20-9-7-17-4-2-12-27-24(17)28-20/h1,5,7,9,11,15,18,21H,2-4,6,8,10,12-14,16H2,(H,27,28)(H,29,31)(H,32,33)/t18?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107404 ((S)-3-Pyridin-3-yl-3-[2-(4-5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)c1cccnc1 Show InChI InChI=1S/C22H27N5O4/c28-19(7-1-6-17-9-8-15-4-3-11-24-22(15)26-17)25-14-20(29)27-18(12-21(30)31)16-5-2-10-23-13-16/h2,5,8-10,13,18H,1,3-4,6-7,11-12,14H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092510 (2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...) Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107401 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)C#C Show InChI InChI=1S/C21H26N4O4/c1-2-16(12-19(27)28)23-18(26)13-25-11-9-15(21(25)29)6-8-17-7-5-14-4-3-10-22-20(14)24-17/h1,5,7,15-16H,3-4,6,8-13H2,(H,22,24)(H,23,26)(H,27,28)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50033030 ((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibronectin				J Med Chem 38: 3332-41 (1995) BindingDB Entry DOI: 10.7270/Q23N24K4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50033030 ((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to vitronectin				J Med Chem 38: 3332-41 (1995) BindingDB Entry DOI: 10.7270/Q23N24K4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50033030 ((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen				J Med Chem 38: 3332-41 (1995) BindingDB Entry DOI: 10.7270/Q23N24K4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107400 ((S)-3-[2-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)C#C Show InChI InChI=1S/C19H24N4O4/c1-2-14(11-18(26)27)22-17(25)12-21-16(24)7-3-6-15-9-8-13-5-4-10-20-19(13)23-15/h1,8-9,14H,3-7,10-12H2,(H,20,23)(H,21,24)(H,22,25)(H,26,27)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102222 (1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl...) Show SMILES Brc1ccccc1NC(=O)Nc1ccc(C#N)c2nn[nH]c12 Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092510 (2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...) Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107396 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCN(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C23H28N6O4/c30-20(27-19(13-21(31)32)17-4-1-8-24-14-17)15-29-12-11-28(23(29)33)10-7-18-6-5-16-3-2-9-25-22(16)26-18/h1,4-6,8,14,19H,2-3,7,9-13,15H2,(H,25,26)(H,27,30)(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102217 (3-[5-(4-Fluoro-phenylcarbamoyl)-1-oxy-pyridine-2-s...) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C19H13FN2O6S/c20-14-5-7-15(8-6-14)21-18(23)13-4-9-17(22(26)11-13)29(27,28)16-3-1-2-12(10-16)19(24)25/h1-11H,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50113628 (CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...) Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50113628 (CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...) Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219799 (CHEMBL36535) Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)OCc3cccc(F)c3)nc2)cc1 Show InChI InChI=1S/C21H16F2N2O3S/c22-16-5-7-18(8-6-16)25-21(27)15-4-9-19(24-11-15)29-13-20(26)28-12-14-2-1-3-17(23)10-14/h1-11H,12-13H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219797 (CHEMBL36934) Show SMILES CCCOC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C17H17FN2O3S/c1-2-9-23-16(21)11-24-15-8-3-12(10-19-15)17(22)20-14-6-4-13(18)5-7-14/h3-8,10H,2,9,11H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219796 (CHEMBL39464) Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OCc3cccc(F)c3)nc2)cc1 Show InChI InChI=1S/C21H16F2N2O4/c22-16-5-7-18(8-6-16)25-21(27)15-4-9-19(24-11-15)28-13-20(26)29-12-14-2-1-3-17(23)10-14/h1-11H,12-13H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219800 (CHEMBL432475) Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)OCc3ccc(Br)cc3)nc2)cc1 Show InChI InChI=1S/C21H16BrFN2O3S/c22-16-4-1-14(2-5-16)12-28-20(26)13-29-19-10-3-15(11-24-19)21(27)25-18-8-6-17(23)7-9-18/h1-11H,12-13H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102229 (6-Benzenesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicoti...) Show SMILES [O-][n+]1cc(ccc1S(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C18H13FN2O4S/c19-14-7-9-15(10-8-14)20-18(22)13-6-11-17(21(23)12-13)26(24,25)16-4-2-1-3-5-16/h1-12H,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219806 (CHEMBL291140) Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OCc3ccccc3)nc2)cc1 Show InChI InChI=1S/C21H17FN2O4/c22-17-7-9-18(10-8-17)24-21(26)16-6-11-19(23-12-16)27-14-20(25)28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102225 (CHEMBL39740 | N'-(3-[2,2']Bithiophenyl-5-yl-6,7-di...) Show SMILES CCN(CC)CCCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(s1)-c1cccs1 Show InChI InChI=1S/C24H26Cl2N4S2/c1-3-30(4-2)12-6-5-11-27-24-23(22-10-9-21(32-22)20-8-7-13-31-20)28-18-14-16(25)17(26)15-19(18)29-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Compound binding was evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human C-X-C chem...				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219809 (CHEMBL36643) Show SMILES COC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O4/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102225 (CHEMBL39740 | N'-(3-[2,2']Bithiophenyl-5-yl-6,7-di...) Show SMILES CCN(CC)CCCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(s1)-c1cccs1 Show InChI InChI=1S/C24H26Cl2N4S2/c1-3-30(4-2)12-6-5-11-27-24-23(22-10-9-21(32-22)20-8-7-13-31-20)28-18-14-16(25)17(26)15-19(18)29-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107405 (3-[2-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-...) Show SMILES OC(=O)CCNC(=O)CNC(=O)CCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C17H24N4O4/c22-14(20-11-15(23)18-10-8-16(24)25)5-1-4-13-7-6-12-3-2-9-19-17(12)21-13/h6-7H,1-5,8-11H2,(H,18,23)(H,19,21)(H,20,22)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102216 (6-Ethanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotin...) Show SMILES CCS(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C14H13FN2O4S/c1-2-22(20,21)13-8-3-10(9-17(13)19)14(18)16-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102219 (CHEMBL61835 | N-(4-Fluoro-phenyl)-6-methanesulfony...) Show SMILES CS(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C13H11FN2O4S/c1-21(19,20)12-7-2-9(8-16(12)18)13(17)15-11-5-3-10(14)4-6-11/h2-8H,1H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219811 (CHEMBL39710) Show SMILES CCOC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C16H15FN2O4/c1-2-22-15(20)10-23-14-8-3-11(9-18-14)16(21)19-13-6-4-12(17)5-7-13/h3-9H,2,10H2,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219812 (CHEMBL36842) Show SMILES CC(C)CCOC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C19H21FN2O4/c1-13(2)9-10-25-18(23)12-26-17-8-3-14(11-21-17)19(24)22-16-6-4-15(20)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219808 (CHEMBL288527) Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccnc3)nc2)cc1 Show InChI InChI=1S/C19H15FN4O3/c20-14-4-6-15(7-5-14)24-19(26)13-3-8-18(22-10-13)27-12-17(25)23-16-2-1-9-21-11-16/h1-11H,12H2,(H,23,25)(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219794 (CHEMBL289656) Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OC3CCCCC3)nc2)cc1 Show InChI InChI=1S/C20H21FN2O4/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-18(22-12-14)26-13-19(24)27-17-4-2-1-3-5-17/h6-12,17H,1-5,13H2,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102226 (CHEMBL58619 | N-(4-Fluoro-phenyl)-1-oxy-6-phenylme...) Show SMILES [O-][n+]1cc(ccc1S(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C19H15FN2O4S/c20-16-7-9-17(10-8-16)21-19(23)15-6-11-18(22(24)12-15)27(25,26)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219810 (CHEMBL288876) Show SMILES COC(=O)COc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C15H13FN2O4/c1-21-14(19)9-22-13-7-6-12(8-17-13)18-15(20)10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102218 (CHEMBL61655 | N-(4-Fluoro-phenyl)-1-oxy-6-(propane...) Show SMILES CC(C)S(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H15FN2O4S/c1-10(2)23(21,22)14-8-3-11(9-18(14)20)15(19)17-13-6-4-12(16)5-7-13/h3-10H,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219795 (CHEMBL40080) Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Oc3ccccc3)nc2)cc1 Show InChI InChI=1S/C20H15FN2O4/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-18(22-12-14)26-13-19(24)27-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102230 (6-Cyclopentanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-n...) Show SMILES [O-][n+]1cc(ccc1S(=O)(=O)C1CCCC1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C17H17FN2O4S/c18-13-6-8-14(9-7-13)19-17(21)12-5-10-16(20(22)11-12)25(23,24)15-3-1-2-4-15/h5-11,15H,1-4H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2				Bioorg Med Chem Lett 11: 1951-4 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DN0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219789 (CHEMBL40955) Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OCCCCC3CCCCC3)nc2)cc1 Show InChI InChI=1S/C24H29FN2O4/c25-20-10-12-21(13-11-20)27-24(29)19-9-14-22(26-16-19)31-17-23(28)30-15-5-4-8-18-6-2-1-3-7-18/h9-14,16,18H,1-8,15,17H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219793 (CHEMBL289789) Show SMILES COC(=O)CCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C16H15FN2O3S/c1-22-15(20)8-9-23-14-7-2-11(10-18-14)16(21)19-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50091737 ((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1/2 (Homo sapiens (Human))	BDBM50219790 (CHEMBL39937) Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)nc2)cc1 Show InChI InChI=1S/C20H16FN3O3/c21-15-7-9-17(10-8-15)24-20(26)14-6-11-19(22-12-14)27-13-18(25)23-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,25)(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50091737 ((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair

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