Compile Data Set for Download or QSAR

Found 552 hits with Last Name = 'nicholas' and Initial = 'jb'   

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))	BDBM50119092 (4-Methyl-piperazine-1-carboxylic acid 4-[(S)-2-car...) Show SMILES CN1CCN(CC1)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C22H24ClN3O5/c1-25-10-12-26(13-11-25)22(30)31-16-8-6-15(7-9-16)14-19(21(28)29)24-20(27)17-4-2-3-5-18(17)23/h2-9,19H,10-14H2,1H3,(H,24,27)(H,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					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
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119089 ((S)-2-(2-Chloro-benzoylamino)-3-(4-dimethylcarbamo...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C19H19ClN2O5/c1-22(2)19(26)27-13-9-7-12(8-10-13)11-16(18(24)25)21-17(23)14-5-3-4-6-15(14)20/h3-10,16H,11H2,1-2H3,(H,21,23)(H,24,25)/t16-/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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119096 ((S)-2-(2-Chloro-benzoylamino)-3-[2'-(4-methyl-pipe...) Show SMILES CN1CCN(Cc2ccccc2-c2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)CC1 Show InChI InChI=1S/C28H30ClN3O3/c1-31-14-16-32(17-15-31)19-22-6-2-3-7-23(22)21-12-10-20(11-13-21)18-26(28(34)35)30-27(33)24-8-4-5-9-25(24)29/h2-13,26H,14-19H2,1H3,(H,30,33)(H,34,35)/t26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119093 ((S)-2-(2-Chloro-benzoylamino)-3-(2'-dimethylaminom...) Show SMILES CN(C)Cc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C25H25ClN2O3/c1-28(2)16-19-7-3-4-8-20(19)18-13-11-17(12-14-18)15-23(25(30)31)27-24(29)21-9-5-6-10-22(21)26/h3-14,23H,15-16H2,1-2H3,(H,27,29)(H,30,31)/t23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119092 (4-Methyl-piperazine-1-carboxylic acid 4-[(S)-2-car...) Show SMILES CN1CCN(CC1)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C22H24ClN3O5/c1-25-10-12-26(13-11-25)22(30)31-16-8-6-15(7-9-16)14-19(21(28)29)24-20(27)17-4-2-3-5-18(17)23/h2-9,19H,10-14H2,1H3,(H,24,27)(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119093 ((S)-2-(2-Chloro-benzoylamino)-3-(2'-dimethylaminom...) Show SMILES CN(C)Cc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C25H25ClN2O3/c1-28(2)16-19-7-3-4-8-20(19)18-13-11-17(12-14-18)15-23(25(30)31)27-24(29)21-9-5-6-10-22(21)26/h3-14,23H,15-16H2,1-2H3,(H,27,29)(H,30,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119083 ((S)-2-(2-Chloro-benzoylamino)-3-(4-phenethylcarbam...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NCCc2ccccc2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C25H23ClN2O5/c26-21-9-5-4-8-20(21)23(29)28-22(24(30)31)16-18-10-12-19(13-11-18)33-25(32)27-15-14-17-6-2-1-3-7-17/h1-13,22H,14-16H2,(H,27,32)(H,28,29)(H,30,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119085 ((S)-2-(2-Chloro-benzoylamino)-3-(4-propylcarbamoyl...) Show SMILES CCCNC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C20H21ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h3-10,17H,2,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119089 ((S)-2-(2-Chloro-benzoylamino)-3-(4-dimethylcarbamo...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C19H19ClN2O5/c1-22(2)19(26)27-13-9-7-12(8-10-13)11-16(18(24)25)21-17(23)14-5-3-4-6-15(14)20/h3-10,16H,11H2,1-2H3,(H,21,23)(H,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119096 ((S)-2-(2-Chloro-benzoylamino)-3-[2'-(4-methyl-pipe...) Show SMILES CN1CCN(Cc2ccccc2-c2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)CC1 Show InChI InChI=1S/C28H30ClN3O3/c1-31-14-16-32(17-15-31)19-22-6-2-3-7-23(22)21-12-10-20(11-13-21)18-26(28(34)35)30-27(33)24-8-4-5-9-25(24)29/h2-13,26H,14-19H2,1H3,(H,30,33)(H,34,35)/t26-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119087 ((S)-2-(2-Chloro-benzoylamino)-3-(2'-{[2-(4-hydroxy...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccc(O)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-8-4-3-7-27(28)30(36)34-29(31(37)38)19-22-9-13-23(14-10-22)26-6-2-1-5-24(26)20-33-18-17-21-11-15-25(35)16-12-21/h1-16,29,33,35H,17-20H2,(H,34,36)(H,37,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119087 ((S)-2-(2-Chloro-benzoylamino)-3-(2'-{[2-(4-hydroxy...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccc(O)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-8-4-3-7-27(28)30(36)34-29(31(37)38)19-22-9-13-23(14-10-22)26-6-2-1-5-24(26)20-33-18-17-21-11-15-25(35)16-12-21/h1-16,29,33,35H,17-20H2,(H,34,36)(H,37,38)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119097 ((S)-3-(4-Allylcarbamoyloxy-phenyl)-2-(2-chloro-ben...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NCC=C)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C20H19ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h2-10,17H,1,11-12H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119085 ((S)-2-(2-Chloro-benzoylamino)-3-(4-propylcarbamoyl...) Show SMILES CCCNC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C20H21ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h3-10,17H,2,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119090 ((S)-2-(2-Chloro-benzoylamino)-3-[2'-(phenethylamin...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccccc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O3/c32-28-13-7-6-12-27(28)30(35)34-29(31(36)37)20-23-14-16-24(17-15-23)26-11-5-4-10-25(26)21-33-19-18-22-8-2-1-3-9-22/h1-17,29,33H,18-21H2,(H,34,35)(H,36,37)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119088 ((S)-2-(2-Chloro-benzoylamino)-3-(3'-{[2-(4-hydroxy...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccc(CNCCc2ccc(O)cc2)c1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-7-2-1-6-27(28)30(36)34-29(31(37)38)19-22-8-12-24(13-9-22)25-5-3-4-23(18-25)20-33-17-16-21-10-14-26(35)15-11-21/h1-15,18,29,33,35H,16-17,19-20H2,(H,34,36)(H,37,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119095 ((S)-2-(2-Chloro-benzoylamino)-3-{2'-[(3-methyl-but...) Show SMILES CC(C)CCNCc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C28H31ClN2O3/c1-19(2)15-16-30-18-22-7-3-4-8-23(22)21-13-11-20(12-14-21)17-26(28(33)34)31-27(32)24-9-5-6-10-25(24)29/h3-14,19,26,30H,15-18H2,1-2H3,(H,31,32)(H,33,34)/t26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119094 ((S)-2-(2-Chloro-benzoylamino)-3-(2'-methoxy-biphen...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C23H20ClNO4/c1-29-21-9-5-3-6-17(21)16-12-10-15(11-13-16)14-20(23(27)28)25-22(26)18-7-2-4-8-19(18)24/h2-13,20H,14H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119088 ((S)-2-(2-Chloro-benzoylamino)-3-(3'-{[2-(4-hydroxy...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccc(CNCCc2ccc(O)cc2)c1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-7-2-1-6-27(28)30(36)34-29(31(37)38)19-22-8-12-24(13-9-22)25-5-3-4-23(18-25)20-33-17-16-21-10-14-26(35)15-11-21/h1-15,18,29,33,35H,16-17,19-20H2,(H,34,36)(H,37,38)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119097 ((S)-3-(4-Allylcarbamoyloxy-phenyl)-2-(2-chloro-ben...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NCC=C)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C20H19ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h2-10,17H,1,11-12H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119090 ((S)-2-(2-Chloro-benzoylamino)-3-[2'-(phenethylamin...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccccc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O3/c32-28-13-7-6-12-27(28)30(35)34-29(31(36)37)20-23-14-16-24(17-15-23)26-11-5-4-10-25(26)21-33-19-18-22-8-2-1-3-9-22/h1-17,29,33H,18-21H2,(H,34,35)(H,36,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119091 ((S)-2-(2-Chloro-benzoylamino)-3-(4-p-tolylcarbamoy...) Show SMILES Cc1ccc(NC(=O)Oc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)cc1 Show InChI InChI=1S/C24H21ClN2O5/c1-15-6-10-17(11-7-15)26-24(31)32-18-12-8-16(9-13-18)14-21(23(29)30)27-22(28)19-4-2-3-5-20(19)25/h2-13,21H,14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119095 ((S)-2-(2-Chloro-benzoylamino)-3-{2'-[(3-methyl-but...) Show SMILES CC(C)CCNCc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C28H31ClN2O3/c1-19(2)15-16-30-18-22-7-3-4-8-23(22)21-13-11-20(12-14-21)17-26(28(33)34)31-27(32)24-9-5-6-10-25(24)29/h3-14,19,26,30H,15-18H2,1-2H3,(H,31,32)(H,33,34)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119082 ((S)-2-(2-Chloro-benzoylamino)-3-(4-cyclohexylcarba...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NC2CCCCC2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C23H25ClN2O5/c24-19-9-5-4-8-18(19)21(27)26-20(22(28)29)14-15-10-12-17(13-11-15)31-23(30)25-16-6-2-1-3-7-16/h4-5,8-13,16,20H,1-3,6-7,14H2,(H,25,30)(H,26,27)(H,28,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119083 ((S)-2-(2-Chloro-benzoylamino)-3-(4-phenethylcarbam...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NCCc2ccccc2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C25H23ClN2O5/c26-21-9-5-4-8-20(21)23(29)28-22(24(30)31)16-18-10-12-19(13-11-18)33-25(32)27-15-14-17-6-2-1-3-7-17/h1-13,22H,14-16H2,(H,27,32)(H,28,29)(H,30,31)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119084 ((S)-2-(2-Chloro-benzoylamino)-3-(4'-{[2-(4-hydroxy...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccc(CNCCc2ccc(O)cc2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-4-2-1-3-27(28)30(36)34-29(31(37)38)19-22-5-11-24(12-6-22)25-13-7-23(8-14-25)20-33-18-17-21-9-15-26(35)16-10-21/h1-16,29,33,35H,17-20H2,(H,34,36)(H,37,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119084 ((S)-2-(2-Chloro-benzoylamino)-3-(4'-{[2-(4-hydroxy...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccc(CNCCc2ccc(O)cc2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-4-2-1-3-27(28)30(36)34-29(31(37)38)19-22-5-11-24(12-6-22)25-13-7-23(8-14-25)20-33-18-17-21-9-15-26(35)16-10-21/h1-16,29,33,35H,17-20H2,(H,34,36)(H,37,38)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119091 ((S)-2-(2-Chloro-benzoylamino)-3-(4-p-tolylcarbamoy...) Show SMILES Cc1ccc(NC(=O)Oc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)cc1 Show InChI InChI=1S/C24H21ClN2O5/c1-15-6-10-17(11-7-15)26-24(31)32-18-12-8-16(9-13-18)14-21(23(29)30)27-22(28)19-4-2-3-5-20(19)25/h2-13,21H,14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	454	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119086 ((S)-2-(2-Chloro-benzoylamino)-3-(4-phenylcarbamoyl...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)Nc2ccccc2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C23H19ClN2O5/c24-19-9-5-4-8-18(19)21(27)26-20(22(28)29)14-15-10-12-17(13-11-15)31-23(30)25-16-6-2-1-3-7-16/h1-13,20H,14H2,(H,25,30)(H,26,27)(H,28,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	604	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119082 ((S)-2-(2-Chloro-benzoylamino)-3-(4-cyclohexylcarba...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NC2CCCCC2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C23H25ClN2O5/c24-19-9-5-4-8-18(19)21(27)26-20(22(28)29)14-15-10-12-17(13-11-15)31-23(30)25-16-6-2-1-3-7-16/h4-5,8-13,16,20H,1-3,6-7,14H2,(H,25,30)(H,26,27)(H,28,29)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	734	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119094 ((S)-2-(2-Chloro-benzoylamino)-3-(2'-methoxy-biphen...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C23H20ClNO4/c1-29-21-9-5-3-6-17(21)16-12-10-15(11-13-16)14-20(23(27)28)25-22(26)18-7-2-4-8-19(18)24/h2-13,20H,14H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	736	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119086 ((S)-2-(2-Chloro-benzoylamino)-3-(4-phenylcarbamoyl...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)Nc2ccccc2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C23H19ClN2O5/c24-19-9-5-4-8-18(19)21(27)26-20(22(28)29)14-15-10-12-17(13-11-15)31-23(30)25-16-6-2-1-3-7-16/h1-13,20H,14H2,(H,25,30)(H,26,27)(H,28,29)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay				Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168437 (US9675593, 10) Show SMILES CC(C)Oc1ccc(cc1)-n1cc(ccc1=O)C(C)=O Show InChI InChI=1S/C16H17NO3/c1-11(2)20-15-7-5-14(6-8-15)17-10-13(12(3)18)4-9-16(17)19/h4-11H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168438 (US9675593, 11) Show SMILES CC(=O)c1ccc(=O)n(c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H10F3NO2/c1-9(19)10-5-6-13(20)18(8-10)12-4-2-3-11(7-12)14(15,16)17/h2-8H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168439 (US9675593, 12) Show SMILES CC(=O)c1ccc(=O)n(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H10ClNO2/c1-9(16)10-2-7-13(17)15(8-10)12-5-3-11(14)4-6-12/h2-8H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168440 (US9675593, 13) Show SMILES CC(=O)c1ccc(=O)n(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C13H10FNO2/c1-9(16)10-2-7-13(17)15(8-10)12-5-3-11(14)4-6-12/h2-8H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168441 (US9675593, 14) Show SMILES COc1cccc(c1)-n1cc(ccc1=O)C(C)=O Show InChI InChI=1S/C14H13NO3/c1-10(16)11-6-7-14(17)15(9-11)12-4-3-5-13(8-12)18-2/h3-9H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168442 (US9675593, 15) Show SMILES CC(=O)c1ccc(=O)n(c1)-c1cccc(F)c1 Show InChI InChI=1S/C13H10FNO2/c1-9(16)10-5-6-13(17)15(8-10)12-4-2-3-11(14)7-12/h2-8H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168444 (US9675593, 17) Show SMILES CCOc1ccc(c(C)c1)-n1cc(ccc1=O)C(C)=O Show InChI InChI=1S/C16H17NO3/c1-4-20-14-6-7-15(11(2)9-14)17-10-13(12(3)18)5-8-16(17)19/h5-10H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168450 (US9675593, 18) Show SMILES CC(=O)Nc1cccc(c1)-n1cc(ccc1=O)C(C)=O Show InChI InChI=1S/C15H14N2O3/c1-10(18)12-6-7-15(20)17(9-12)14-5-3-4-13(8-14)16-11(2)19/h3-9H,1-2H3,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168451 (US9675593, 19) Show SMILES CC(=O)c1ccc(=O)n(c1)-c1ccccc1Cl Show InChI InChI=1S/C13H10ClNO2/c1-9(16)10-6-7-13(17)15(8-10)12-5-3-2-4-11(12)14/h2-8H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168452 (US9675593, 21) Show SMILES COCCOCCOCCOc1ccc(cc1)-n1cc(C)ccc1=O Show InChI InChI=1S/C19H25NO5/c1-16-3-8-19(21)20(15-16)17-4-6-18(7-5-17)25-14-13-24-12-11-23-10-9-22-2/h3-8,15H,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168453 (US9675593, 22) Show SMILES COCCOCCOCCOc1cccc(c1)-n1cc(C)ccc1=O Show InChI InChI=1S/C19H25NO5/c1-16-6-7-19(21)20(15-16)17-4-3-5-18(14-17)25-13-12-24-11-10-23-9-8-22-2/h3-7,14-15H,8-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168454 (US9675593, 23) Show SMILES COCCOc1ccc(cc1)-n1cc(c(C)cc1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FNO3/c1-15-13-21(24)23(14-20(15)16-3-5-17(22)6-4-16)18-7-9-19(10-8-18)26-12-11-25-2/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168462 (US9675593, 24) Show SMILES COCCOc1ccc(cc1)-n1cc(-c2cn[nH]c2)c(C)cc1=O Show InChI InChI=1S/C18H19N3O3/c1-13-9-18(22)21(12-17(13)14-10-19-20-11-14)15-3-5-16(6-4-15)24-8-7-23-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168465 (US9675593, 25) Show SMILES COCCOc1ccc(cc1)-n1cc(-c2cnn(C)c2)c(C)cc1=O Show InChI InChI=1S/C19H21N3O3/c1-14-10-19(23)22(13-18(14)15-11-20-21(2)12-15)16-4-6-17(7-5-16)25-9-8-24-3/h4-7,10-13H,8-9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168466 (US9675593, 26) Show SMILES COCCOc1ccc(cc1)-n1cc(c(C)cc1=O)-c1ccccc1 Show InChI InChI=1S/C21H21NO3/c1-16-14-21(23)22(15-20(16)17-6-4-3-5-7-17)18-8-10-19(11-9-18)25-13-12-24-2/h3-11,14-15H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<5.00E+4	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair
Endothelin-1 (Homo sapiens (Human))	BDBM168467 (US9675593, 27) Show SMILES O=c1ccc2CCCc2n1-c1ccccc1 Show InChI InChI=1S/C14H13NO/c16-14-10-9-11-5-4-8-13(11)15(14)12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
					More data for this Ligand-Target Pair

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