Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'jones' and Initial = 'mw'   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559562 (CHEMBL4762834) Show SMILES Cn1c(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)nc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559561 (CHEMBL4760006) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1coc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559558 (CHEMBL4764936) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559555 (CHEMBL4745988) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1nc2ccccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559556 (CHEMBL4749889) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1nc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559557 (CHEMBL4794689) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559559 (CHEMBL4746129) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559560 (CHEMBL4756804) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1c[nH]c2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559552 (CHEMBL4776002) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc2ccccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559563 (CHEMBL4776454) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559564 (CHEMBL4746167) Show SMILES Cn1c(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)cc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559565 (CHEMBL4776453) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559566 (CHEMBL4749721) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559567 (CHEMBL4760989) Show SMILES C[C@@H](NC(=O)C1(CC(O)=O)Cc2ccccc2C1)c1cc2ccccc2o1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559568 (CHEMBL4748733) Show SMILES C[C@H](NC(=O)C1(CC(O)=O)Cc2ccccc2C1)c1cc2ccccc2o1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559569 (CHEMBL4761199) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559570 (CHEMBL4760832) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559571 (CHEMBL4793389) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ccc2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559572 (CHEMBL4747047) Show SMILES Cn1cc(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)cn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559573 (CHEMBL4741361) Show SMILES Cn1cc(CNC(=O)CC2(Cc3ccccc3C2)C(O)=O)cn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559574 (CHEMBL4785438) Show SMILES Cc1ccc2oc(CNC(=O)C3(CC(O)=O)Cc4ccccc4C3)cc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559575 (CHEMBL4798439) Show SMILES Cc1ccc2oc(CNC(=O)CC3(Cc4ccccc4C3)C(O)=O)cc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559576 (CHEMBL4794850) Show SMILES CC(NC(=O)CC1(Cc2ccccc2C1)C(O)=O)c1cc2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559577 (CHEMBL4797456) Show SMILES Cc1ccccc1OCC(=O)N(CCC(O)=O)Cc1cccc(F)c1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559554 (CHEMBL4751454) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nccs1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559578 (CHEMBL4751618) Show SMILES Cc1cc(Br)ccc1C(=O)NC1=NC(=O)CN1 |t:12| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559551 (CHEMBL4758612) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc(cs1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50559553 (CHEMBL4745918) Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ncc(s1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00554 BindingDB Entry DOI: 10.7270/Q2X63RNT
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243737 ((S)-2-(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-e...) Show SMILES CC(C)SC1=C(N[C@@H](Cc2ccc(cc2)-n2c(nc3cccnc23)-c2cccnc2)C(O)=O)C2(CCCCC2)C1=O |r,c:4| Show InChI InChI=1S/C32H33N5O3S/c1-20(2)41-26-27(32(28(26)38)14-4-3-5-15-32)35-25(31(39)40)18-21-10-12-23(13-11-21)37-29(22-8-6-16-33-19-22)36-24-9-7-17-34-30(24)37/h6-13,16-17,19-20,25,35H,3-5,14-15,18H2,1-2H3,(H,39,40)/t25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243738 ((S)-2-(2-Methylsulfanyl-3-oxo-spiro[3.5]non-1-en-1...) Show SMILES CSC1=C(N[C@@H](Cc2ccc(cc2)-n2c(nc3cccnc23)-c2cccnc2)C(O)=O)C2(CCCCC2)C1=O |r,c:2| Show InChI InChI=1S/C30H29N5O3S/c1-39-24-25(30(26(24)36)13-3-2-4-14-30)33-23(29(37)38)17-19-9-11-21(12-10-19)35-27(20-7-5-15-31-18-20)34-22-8-6-16-32-28(22)35/h5-12,15-16,18,23,33H,2-4,13-14,17H2,1H3,(H,37,38)/t23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243822 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243759 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES CC(C)(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C28H31BrN4O3/c1-27(2,3)26-32-19-8-7-15-30-24(19)33(26)18-11-9-17(10-12-18)16-20(25(35)36)31-22-21(29)23(34)28(22)13-5-4-6-14-28/h7-12,15,20,31H,4-6,13-14,16H2,1-3H3,(H,35,36)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243736 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H26BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h4-11,14-15,17,22,33H,1-3,12-13,16H2,(H,37,38)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243823 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCCN1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)13-3-1-4-14-29)33-22(28(37)38)17-18-9-11-19(12-10-18)35-26-21(8-6-16-32-26)34-27(35)20-7-2-5-15-31-20/h6,8-12,16,20,22,31,33H,1-5,7,13-15,17H2,(H,37,38)/t20?,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243758 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(Cl)nc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C29H25BrClN5O3/c30-23-24(29(25(23)37)12-2-1-3-13-29)34-21(28(38)39)15-17-6-9-19(10-7-17)36-26(18-8-11-22(31)33-16-18)35-20-5-4-14-32-27(20)36/h4-11,14,16,21,34H,1-3,12-13,15H2,(H,38,39)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50211428 (CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...) Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 17: 3463-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.078 BindingDB Entry DOI: 10.7270/Q2959H7W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50211428 (CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...) Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of JNK2				Bioorg Med Chem Lett 17: 3463-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.078 BindingDB Entry DOI: 10.7270/Q2959H7W
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243824 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCNC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h5,7-11,15,19,22,31,33H,1-4,6,12-14,16-17H2,(H,37,38)/t19?,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243735 ((S)-2-(2-Chloro-3-oxo-spiro[3.5]non-1-en-1-ylamino...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Cl)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H26ClN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h4-11,14-15,17,22,33H,1-3,12-13,16H2,(H,37,38)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243820 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(nc1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:35| Show InChI InChI=1S/C30H25BrF3N5O3/c31-23-24(29(25(23)40)12-2-1-3-13-29)37-21(28(41)42)15-17-6-9-19(10-7-17)39-26(38-20-5-4-14-35-27(20)39)18-8-11-22(36-16-18)30(32,33)34/h4-11,14,16,21,37H,1-3,12-13,15H2,(H,41,42)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243821 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(CC2CC2)nc2cccnc12)NC1=C(Br)C(=O)C11CCCCC1 |r,c:29| Show InChI InChI=1S/C28H29BrN4O3/c29-23-24(28(25(23)34)12-2-1-3-13-28)32-21(27(35)36)15-17-8-10-19(11-9-17)33-22(16-18-6-7-18)31-20-5-4-14-30-26(20)33/h4-5,8-11,14,18,21,32H,1-3,6-7,12-13,15-16H2,(H,35,36)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243819 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES CNc1ccc(cn1)-c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:27| Show InChI InChI=1S/C30H29BrN6O3/c1-32-23-12-9-19(17-34-23)27-36-21-6-5-15-33-28(21)37(27)20-10-7-18(8-11-20)16-22(29(39)40)35-25-24(31)26(38)30(25)13-3-2-4-14-30/h5-12,15,17,22,35H,2-4,13-14,16H2,1H3,(H,32,34)(H,39,40)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243818 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:21| Show InChI InChI=1S/C27H29BrN4O3/c1-16(2)24-31-19-7-6-14-29-25(19)32(24)18-10-8-17(9-11-18)15-20(26(34)35)30-22-21(28)23(33)27(22)12-4-3-5-13-27/h6-11,14,16,20,30H,3-5,12-13,15H2,1-2H3,(H,34,35)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50244342 ((2S)-2-(2-bromo-4,4-dimethyl-3-oxocyclobut-1-enyla...) Show SMILES CC1(C)C(=O)C(Br)=C1N[C@@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)C(O)=O |r,c:6| Show InChI InChI=1S/C26H22BrN5O3/c1-26(2)21(20(27)22(26)33)30-19(25(34)35)13-15-7-9-17(10-8-15)32-23(16-5-3-11-28-14-16)31-18-6-4-12-29-24(18)32/h3-12,14,19,30H,13H2,1-2H3,(H,34,35)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243756 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(CC#N)nc2cccnc12)NC1=C(Br)C(=O)C11CCCCC1 |r,c:27| Show InChI InChI=1S/C26H24BrN5O3/c27-21-22(26(23(21)33)11-2-1-3-12-26)31-19(25(34)35)15-16-6-8-17(9-7-16)32-20(10-13-28)30-18-5-4-14-29-24(18)32/h4-9,14,19,31H,1-3,10-12,15H2,(H,34,35)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243757 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1COCCN1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C28H30BrN5O4/c29-22-23(28(24(22)35)10-2-1-3-11-28)32-20(27(36)37)15-17-6-8-18(9-7-17)34-25-19(5-4-12-31-25)33-26(34)21-16-38-14-13-30-21/h4-9,12,20-21,30,32H,1-3,10-11,13-16H2,(H,36,37)/t20-,21?/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243815 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES CC(C)Cc1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C28H31BrN4O3/c1-17(2)15-22-31-20-7-6-14-30-26(20)33(22)19-10-8-18(9-11-19)16-21(27(35)36)32-24-23(29)25(34)28(24)12-4-3-5-13-28/h6-11,14,17,21,32H,3-5,12-13,15-16H2,1-2H3,(H,35,36)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243755 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES CSCCc1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C27H29BrN4O3S/c1-36-15-11-21-30-19-6-5-14-29-25(19)32(21)18-9-7-17(8-10-18)16-20(26(34)35)31-23-22(28)24(33)27(23)12-3-2-4-13-27/h5-10,14,20,31H,2-4,11-13,15-16H2,1H3,(H,34,35)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50243817 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCNCC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)17-18-6-8-20(9-7-18)35-26(19-10-15-31-16-11-19)34-21-5-4-14-32-27(21)35/h4-9,14,19,22,31,33H,1-3,10-13,15-17H2,(H,37,38)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry				Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50211424 (4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...) Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of JNK1				Bioorg Med Chem Lett 17: 3463-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.078 BindingDB Entry DOI: 10.7270/Q2959H7W
					More data for this Ligand-Target Pair				3D Structure (crystal)

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