Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'trilles' and Initial = 'rv'   

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-4/beta-1 (Homo sapiens (Human))	BDBM50108227 ((S)-2-[((R)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C28H25Cl2N3O5/c29-20-7-4-8-21(30)25(20)27(36)31-19-11-9-17(10-12-19)15-22(28(37)38)32-26(35)23-13-14-24(34)33(23)16-18-5-2-1-3-6-18/h1-12,22-23H,13-16H2,(H,31,36)(H,32,35)(H,37,38)/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108219 ((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108221 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(O)c1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O7/c38-26-8-4-7-25(20-26)32(42)36-17-15-35(16-18-36)31(41)24-11-9-22(10-12-24)19-27(33(43)44)34-30(40)28-13-14-29(39)37(28)21-23-5-2-1-3-6-23/h1-12,20,27-28,38H,13-19,21H2,(H,34,40)(H,43,44)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108231 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O7/c38-26-12-10-25(11-13-26)32(42)36-18-16-35(17-19-36)31(41)24-8-6-22(7-9-24)20-27(33(43)44)34-30(40)28-14-15-29(39)37(28)21-23-4-2-1-3-5-23/h1-13,27-28,38H,14-21H2,(H,34,40)(H,43,44)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108230 ((S)-3-[4-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O6/c38-29-16-15-28(37(29)22-24-7-3-1-4-8-24)30(39)34-27(33(42)43)21-23-11-13-26(14-12-23)32(41)36-19-17-35(18-20-36)31(40)25-9-5-2-6-10-25/h1-14,27-28H,15-22H2,(H,34,39)(H,42,43)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108218 ((S)-3-[4-(2-Acetyl-phenylcarbamoyl)-phenyl]-2-[((S...) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C30H29N3O6/c1-19(34)23-9-5-6-10-24(23)31-28(36)22-13-11-20(12-14-22)17-25(30(38)39)32-29(37)26-15-16-27(35)33(26)18-21-7-3-2-4-8-21/h2-14,25-26H,15-18H2,1H3,(H,31,36)(H,32,37)(H,38,39)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108222 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C34H36N4O7/c1-45-27-13-11-26(12-14-27)33(42)37-19-17-36(18-20-37)32(41)25-9-7-23(8-10-25)21-28(34(43)44)35-31(40)29-15-16-30(39)38(29)22-24-5-3-2-4-6-24/h2-14,28-29H,15-22H2,1H3,(H,35,40)(H,43,44)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380736 (CHEMBL2017828) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1CC1CCCCC1 Show InChI InChI=1S/C39H42N6O2/c46-36(43-22-12-11-17-30(43)23-27-13-3-1-4-14-27)26-44-34-20-9-10-21-35(34)45-37(28-15-5-2-6-16-28)41-42-38(45)32(39(44)47)24-29-25-40-33-19-8-7-18-31(29)33/h2,5-10,15-16,18-21,25,27,30,32,40H,1,3-4,11-14,17,22-24,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108223 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES CCN(CC)C(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C35H40N4O7/c1-3-38(4-2)34(44)28(20-24-12-16-27(40)17-13-24)36-32(42)26-14-10-23(11-15-26)21-29(35(45)46)37-33(43)30-18-19-31(41)39(30)22-25-8-6-5-7-9-25/h5-17,28-30,40H,3-4,18-22H2,1-2H3,(H,36,42)(H,37,43)(H,45,46)/t28?,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108233 ((S)-3-{4-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-p...) Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C32H34N4O7/c1-20(37)33-26(17-22-9-13-25(38)14-10-22)30(40)34-24-11-7-21(8-12-24)18-27(32(42)43)35-31(41)28-15-16-29(39)36(28)19-23-5-3-2-4-6-23/h2-14,26-28,38H,15-19H2,1H3,(H,33,37)(H,34,40)(H,35,41)(H,42,43)/t26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108236 ((S)-3-[4-(4-Acetyl-piperazine-1-carbonyl)-phenyl]-...) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C28H32N4O6/c1-19(33)30-13-15-31(16-14-30)27(36)22-9-7-20(8-10-22)17-23(28(37)38)29-26(35)24-11-12-25(34)32(24)18-21-5-3-2-4-6-21/h2-10,23-24H,11-18H2,1H3,(H,29,35)(H,37,38)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380725 (CHEMBL2017832) Show SMILES COCCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C34H35N7O3/c1-44-20-18-24-13-9-10-19-39(24)31(42)22-40-29-16-7-8-17-30(29)41-32(23-11-3-2-4-12-23)37-38-33(41)26(34(40)43)21-28-25-14-5-6-15-27(25)35-36-28/h2-8,11-12,14-17,24,26H,9-10,13,18-22H2,1H3,(H,35,36)/t24?,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108232 ((S)-3-[4-(4-Benzenesulfonyl-piperazine-1-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C32H34N4O7S/c37-29-16-15-28(36(29)22-24-7-3-1-4-8-24)30(38)33-27(32(40)41)21-23-11-13-25(14-12-23)31(39)34-17-19-35(20-18-34)44(42,43)26-9-5-2-6-10-26/h1-14,27-28H,15-22H2,(H,33,38)(H,40,41)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108227 ((S)-2-[((R)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C28H25Cl2N3O5/c29-20-7-4-8-21(30)25(20)27(36)31-19-11-9-17(10-12-19)15-22(28(37)38)32-26(35)23-13-14-24(34)33(23)16-18-5-2-1-3-6-18/h1-12,22-23H,13-16H2,(H,31,36)(H,32,35)(H,37,38)/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108225 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C33H36N4O8S/c1-45-26-11-13-27(14-12-26)46(43,44)36-19-17-35(18-20-36)32(40)25-9-7-23(8-10-25)21-28(33(41)42)34-31(39)29-15-16-30(38)37(29)22-24-5-3-2-4-6-24/h2-14,28-29H,15-22H2,1H3,(H,34,39)(H,41,42)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from rat CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329179 (2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...) Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108235 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES C[C@H](NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C30H31N3O5/c1-20(23-10-6-3-7-11-23)31-28(35)24-14-12-21(13-15-24)18-25(30(37)38)32-29(36)26-16-17-27(34)33(26)19-22-8-4-2-5-9-22/h2-15,20,25-26H,16-19H2,1H3,(H,31,35)(H,32,36)(H,37,38)/t20-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380726 (CHEMBL2017833) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccccc1 |r| Show InChI InChI=1S/C38H35N7O2/c46-35(43-22-12-11-17-28(43)23-26-13-3-1-4-14-26)25-44-33-20-9-10-21-34(33)45-36(27-15-5-2-6-16-27)41-42-37(45)30(38(44)47)24-32-29-18-7-8-19-31(29)39-40-32/h1-10,13-16,18-21,28,30H,11-12,17,22-25H2,(H,39,40)/t28?,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380730 (CHEMBL2017691) Show SMILES CCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C34H34N6O2/c1-2-25-14-10-11-19-38(25)31(41)22-39-29-17-8-9-18-30(29)40-32(23-12-4-3-5-13-23)36-37-33(40)27(34(39)42)20-24-21-35-28-16-7-6-15-26(24)28/h3-9,12-13,15-18,21,25,27,35H,2,10-11,14,19-20,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380724 (CHEMBL2017831) Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C36H33N7O2/c1-24(2)41(22-25-13-5-3-6-14-25)33(44)23-42-31-19-11-12-20-32(31)43-34(26-15-7-4-8-16-26)39-40-35(43)28(36(42)45)21-30-27-17-9-10-18-29(27)37-38-30/h3-20,24,28H,21-23H2,1-2H3,(H,37,38)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380735 (CHEMBL2017827) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccccc1 Show InChI InChI=1S/C39H36N6O2/c46-36(43-22-12-11-17-30(43)23-27-13-3-1-4-14-27)26-44-34-20-9-10-21-35(34)45-37(28-15-5-2-6-16-28)41-42-38(45)32(39(44)47)24-29-25-40-33-19-8-7-18-31(29)33/h1-10,13-16,18-21,25,30,32,40H,11-12,17,22-24,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380729 (CHEMBL2017690) Show SMILES COCCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C35H36N6O3/c1-44-20-18-26-13-9-10-19-39(26)32(42)23-40-30-16-7-8-17-31(30)41-33(24-11-3-2-4-12-24)37-38-34(41)28(35(40)43)21-25-22-36-29-15-6-5-14-27(25)29/h2-8,11-12,14-17,22,26,28,36H,9-10,13,18-21,23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108226 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)Nc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C28H27N3O5/c32-25-16-15-24(31(25)18-20-7-3-1-4-8-20)27(34)30-23(28(35)36)17-19-11-13-21(14-12-19)26(33)29-22-9-5-2-6-10-22/h1-14,23-24H,15-18H2,(H,29,33)(H,30,34)(H,35,36)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108228 ((S)-3-[3-(4-Benzenesulfonyl-piperazine-1-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C32H34N4O7S/c37-29-15-14-28(36(29)22-23-8-3-1-4-9-23)30(38)33-27(32(40)41)21-24-10-7-11-25(20-24)31(39)34-16-18-35(19-17-34)44(42,43)26-12-5-2-6-13-26/h1-13,20,27-28H,14-19,21-22H2,(H,33,38)(H,40,41)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108229 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES COc1ccc(CNC(=O)c2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(O)=O)cc2)cc1 Show InChI InChI=1S/C30H31N3O6/c1-39-24-13-9-21(10-14-24)18-31-28(35)23-11-7-20(8-12-23)17-25(30(37)38)32-29(36)26-15-16-27(34)33(26)19-22-5-3-2-4-6-22/h2-14,25-26H,15-19H2,1H3,(H,31,35)(H,32,36)(H,37,38)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380731 (CHEMBL2017692) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCC(Cc2ccccc2)C1 Show InChI InChI=1S/C38H34N6O2/c45-35(42-20-19-27(24-42)21-26-11-3-1-4-12-26)25-43-33-17-9-10-18-34(33)44-36(28-13-5-2-6-14-28)40-41-37(44)31(38(43)46)22-29-23-39-32-16-8-7-15-30(29)32/h1-18,23,27,31,39H,19-22,24-25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108220 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C33H36N4O8S/c1-45-26-10-12-27(13-11-26)46(43,44)36-18-16-35(17-19-36)32(40)25-9-5-8-24(20-25)21-28(33(41)42)34-31(39)29-14-15-30(38)37(29)22-23-6-3-2-4-7-23/h2-13,20,28-29H,14-19,21-22H2,1H3,(H,34,39)(H,41,42)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380734 (CHEMBL2017826) Show SMILES CC(C)C1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C35H36N6O2/c1-23(2)29-16-10-11-19-39(29)32(42)22-40-30-17-8-9-18-31(30)41-33(24-12-4-3-5-13-24)37-38-34(41)27(35(40)43)20-25-21-36-28-15-7-6-14-26(25)28/h3-9,12-15,17-18,21,23,27,29,36H,10-11,16,19-20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380727 (CHEMBL2017834) Show SMILES Cc1cccc(CC2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C39H37N7O2/c1-26-12-11-13-27(22-26)23-29-16-9-10-21-44(29)36(47)25-45-34-19-7-8-20-35(34)46-37(28-14-3-2-4-15-28)42-43-38(46)31(39(45)48)24-33-30-17-5-6-18-32(30)40-41-33/h2-8,11-15,17-20,22,29,31H,9-10,16,21,23-25H2,1H3,(H,40,41)/t29?,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380722 (CHEMBL2017829) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccccn1 Show InChI InChI=1S/C38H35N7O2/c46-35(43-21-11-9-15-29(43)23-28-14-8-10-20-39-28)25-44-33-18-6-7-19-34(33)45-36(26-12-2-1-3-13-26)41-42-37(45)31(38(44)47)22-27-24-40-32-17-5-4-16-30(27)32/h1-8,10,12-14,16-20,24,29,31,40H,9,11,15,21-23,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108234 ((S)-3-[3-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]...) Show SMILES OC(=O)[C@H](Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O6/c38-29-15-14-28(37(29)22-23-8-3-1-4-9-23)30(39)34-27(33(42)43)21-24-10-7-13-26(20-24)32(41)36-18-16-35(17-19-36)31(40)25-11-5-2-6-12-25/h1-13,20,27-28H,14-19,21-22H2,(H,34,39)(H,42,43)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380721 (CHEMBL2017825) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCC1c1ccccc1 Show InChI InChI=1S/C37H32N6O2/c44-34(41-21-11-20-31(41)25-12-3-1-4-13-25)24-42-32-18-9-10-19-33(32)43-35(26-14-5-2-6-15-26)39-40-36(43)29(37(42)45)22-27-23-38-30-17-8-7-16-28(27)30/h1-10,12-19,23,29,31,38H,11,20-22,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108219 ((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108224 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES CCN(CC)C(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C35H40N4O7/c1-3-38(4-2)34(44)28(20-23-13-15-27(40)16-14-23)36-32(42)26-12-8-11-25(19-26)21-29(35(45)46)37-33(43)30-17-18-31(41)39(30)22-24-9-6-5-7-10-24/h5-16,19,28-30,40H,3-4,17-18,20-22H2,1-2H3,(H,36,42)(H,37,43)(H,45,46)/t28?,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380733 (CHEMBL2017824) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1c1ccccc1 Show InChI InChI=1S/C38H34N6O2/c45-35(42-22-12-11-19-32(42)26-13-3-1-4-14-26)25-43-33-20-9-10-21-34(33)44-36(27-15-5-2-6-16-27)40-41-37(44)30(38(43)46)23-28-24-39-31-18-8-7-17-29(28)31/h1-10,13-18,20-21,24,30,32,39H,11-12,19,22-23,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108222 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C34H36N4O7/c1-45-27-13-11-26(12-14-27)33(42)37-19-17-36(18-20-37)32(41)25-9-7-23(8-10-25)21-28(34(43)44)35-31(40)29-15-16-30(39)38(29)22-24-5-3-2-4-6-24/h2-14,28-29H,15-22H2,1H3,(H,35,40)(H,43,44)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380723 (CHEMBL2017830) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccncc1 Show InChI InChI=1S/C38H35N7O2/c46-35(43-21-9-8-12-29(43)22-26-17-19-39-20-18-26)25-44-33-15-6-7-16-34(33)45-36(27-10-2-1-3-11-27)41-42-37(45)31(38(44)47)23-28-24-40-32-14-5-4-13-30(28)32/h1-7,10-11,13-20,24,29,31,40H,8-9,12,21-23,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380732 (CHEMBL2017823) Show SMILES O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCC1Cc1ccccn1 Show InChI InChI=1S/C37H33N7O2/c45-34(42-20-10-14-28(42)22-27-13-8-9-19-38-27)24-43-32-17-6-7-18-33(32)44-35(25-11-2-1-3-12-25)40-41-36(44)30(37(43)46)21-26-23-39-31-16-5-4-15-29(26)31/h1-9,11-13,15-19,23,28,30,39H,10,14,20-22,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108221 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(O)c1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O7/c38-26-8-4-7-25(20-26)32(42)36-17-15-35(16-18-36)31(41)24-11-9-22(10-12-24)19-27(33(43)44)34-30(40)28-13-14-29(39)37(28)21-23-5-2-1-3-6-23/h1-12,20,27-28,38H,13-19,21H2,(H,34,40)(H,43,44)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108223 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES CCN(CC)C(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C35H40N4O7/c1-3-38(4-2)34(44)28(20-24-12-16-27(40)17-13-24)36-32(42)26-14-10-23(11-15-26)21-29(35(45)46)37-33(43)30-18-19-31(41)39(30)22-25-8-6-5-7-9-25/h5-17,28-30,40H,3-4,18-22H2,1-2H3,(H,36,42)(H,37,43)(H,45,46)/t28?,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108218 ((S)-3-[4-(2-Acetyl-phenylcarbamoyl)-phenyl]-2-[((S...) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C30H29N3O6/c1-19(34)23-9-5-6-10-24(23)31-28(36)22-13-11-20(12-14-22)17-25(30(38)39)32-29(37)26-15-16-27(35)33(26)18-21-7-3-2-4-8-21/h2-14,25-26H,15-18H2,1H3,(H,31,36)(H,32,37)(H,38,39)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108230 ((S)-3-[4-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O6/c38-29-16-15-28(37(29)22-24-7-3-1-4-8-24)30(39)34-27(33(42)43)21-23-11-13-26(14-12-23)32(41)36-19-17-35(18-20-36)31(40)25-9-5-2-6-10-25/h1-14,27-28H,15-22H2,(H,34,39)(H,42,43)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108231 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O7/c38-26-12-10-25(11-13-26)32(42)36-18-16-35(17-19-36)31(41)24-8-6-22(7-9-24)20-27(33(43)44)34-30(40)28-14-15-29(39)37(28)21-23-4-2-1-3-5-23/h1-13,27-28,38H,14-21H2,(H,34,40)(H,43,44)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108233 ((S)-3-{4-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-p...) Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C32H34N4O7/c1-20(37)33-26(17-22-9-13-25(38)14-10-22)30(40)34-24-11-7-21(8-12-24)18-27(32(42)43)35-31(41)28-15-16-29(39)36(28)19-23-5-3-2-4-6-23/h2-14,26-28,38H,15-19H2,1H3,(H,33,37)(H,34,40)(H,35,41)(H,42,43)/t26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108232 ((S)-3-[4-(4-Benzenesulfonyl-piperazine-1-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C32H34N4O7S/c37-29-16-15-28(36(29)22-24-7-3-1-4-8-24)30(38)33-27(32(40)41)21-23-11-13-25(14-12-23)31(39)34-17-19-35(20-18-34)44(42,43)26-9-5-2-6-10-26/h1-14,27-28H,15-22H2,(H,33,38)(H,40,41)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108236 ((S)-3-[4-(4-Acetyl-piperazine-1-carbonyl)-phenyl]-...) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C28H32N4O6/c1-19(33)30-13-15-31(16-14-30)27(36)22-9-7-20(8-10-22)17-23(28(37)38)29-26(35)24-11-12-25(34)32(24)18-21-5-3-2-4-6-21/h2-10,23-24H,11-18H2,1H3,(H,29,35)(H,37,38)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108220 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C33H36N4O8S/c1-45-26-10-12-27(13-11-26)46(43,44)36-18-16-35(17-19-36)32(40)25-9-5-8-24(20-25)21-28(33(41)42)34-31(39)29-14-15-30(38)37(29)22-23-6-3-2-4-7-23/h2-13,20,28-29H,14-19,21-22H2,1H3,(H,34,39)(H,41,42)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108225 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C33H36N4O8S/c1-45-26-11-13-27(14-12-26)46(43,44)36-19-17-35(18-20-36)32(40)25-9-7-23(8-10-25)21-28(33(41)42)34-31(39)29-15-16-30(38)37(29)22-24-5-3-2-4-6-24/h2-14,28-29H,15-22H2,1H3,(H,34,39)(H,41,42)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 68 total )  |  Next  |  Last  >>

Jump to: