Compile Data Set for Download or QSAR

Found 1833 hits with Last Name = 'sutton' and Initial = 'jm'   

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
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421360 (CHEMBL358119 | SB-207058) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C22H30N2O3/c1-2-3-11-23-13-9-17(10-14-23)16-27-22(25)20-18-7-4-5-8-19(18)24-12-6-15-26-21(20)24/h4-5,7-8,17H,2-3,6,9-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP				J Med Chem 38: 4760-3 (1996) BindingDB Entry DOI: 10.7270/Q2B56M1M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM82505 (CAS_121881 | NSC_121881 | SB204070) Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1 Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP				J Med Chem 38: 4760-3 (1996) BindingDB Entry DOI: 10.7270/Q2B56M1M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50422085 (CHEMBL142490) Show SMILES CCCCN1CCC(COC(=O)c2c(OC)[nH]c3ccccc23)CC1 Show InChI InChI=1S/C20H28N2O3/c1-3-4-11-22-12-9-15(10-13-22)14-25-20(23)18-16-7-5-6-8-17(16)21-19(18)24-2/h5-8,15,21H,3-4,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP				J Med Chem 38: 4760-3 (1996) BindingDB Entry DOI: 10.7270/Q2B56M1M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421359 (CHEMBL145075) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCn3c3ccccc23)CC1 Show InChI InChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP				J Med Chem 38: 4760-3 (1996) BindingDB Entry DOI: 10.7270/Q2B56M1M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228403 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421362 (CHEMBL143862) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP				J Med Chem 38: 4760-3 (1996) BindingDB Entry DOI: 10.7270/Q2B56M1M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM473678 (7-Isopropyl-5-(1H-pyrrolo[2,3-b]pyridin-2- yl)pyrr...) Show SMILES CC(C)n1cc(-c2cc3cccnc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6/c1-9(2)22-7-11(13-14(17)19-8-20-16(13)22)12-6-10-4-3-5-18-15(10)21-12/h3-9H,1-2H3,(H,18,21)(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q28S4TVP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM473678 (7-Isopropyl-5-(1H-pyrrolo[2,3-b]pyridin-2- yl)pyrr...) Show SMILES CC(C)n1cc(-c2cc3cccnc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6/c1-9(2)22-7-11(13-14(17)19-8-20-16(13)22)12-6-10-4-3-5-18-15(10)21-12/h3-9H,1-2H3,(H,18,21)(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description RET and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed ...				US Patent US10844067 (2020) BindingDB Entry DOI: 10.7270/Q2HQ4308
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364156 (CHEMBL1951432) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3nccc4ccccc34)c(=O)c12 |r| Show InChI InChI=1S/C27H29N7O/c1-18(2)10-13-34-25-24(22(14-28)26(34)32-12-5-7-20(29)15-32)31-17-33(27(25)35)16-23-21-8-4-3-6-19(21)9-11-30-23/h3-4,6,8-11,17,20H,5,7,12-13,15-16,29H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421361 (CHEMBL143426) Show SMILES CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP				J Med Chem 38: 4760-3 (1996) BindingDB Entry DOI: 10.7270/Q2B56M1M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364171 (CHEMBL1951598) Show SMILES [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1c(=O)n(-[#6])c2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O |r| Show InChI InChI=1S/C27H32N6O4/c1-17(2)10-12-32-24-23(21(14-28)25(32)31-11-6-8-19(29)15-31)30(3)27(36)33(26(24)35)16-22(34)18-7-5-9-20(13-18)37-4/h5,7,9-10,13,19H,6,8,11-12,15-16,29H2,1-4H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM85026 (N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...) Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity was determined against 5-hydroxytryptamine 3 receptor				J Med Chem 38: 4760-3 (1996) BindingDB Entry DOI: 10.7270/Q2B56M1M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM473666 (1-tert-Butyl-3-{1H-pyrrolo[2,3-b]pyridin-2- yl}-1H...) Show SMILES CC(C)(C)n1nc(-c2cc3cccnc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H17N7/c1-16(2,3)23-15-11(13(17)19-8-20-15)12(22-23)10-7-9-5-4-6-18-14(9)21-10/h4-8H,1-3H3,(H,18,21)(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description RET and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed ...				US Patent US10844067 (2020) BindingDB Entry DOI: 10.7270/Q2HQ4308
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM473667 (1-tert-Butyl-3-{3-chloro-1H-pyrrolo[2,3- b]pyridin...) Show SMILES CC(C)(C)n1nc(-c2[nH]c3ncccc3c2Cl)c2c(N)ncnc12 Show InChI InChI=1S/C16H16ClN7/c1-16(2,3)24-15-9(13(18)20-7-21-15)11(23-24)12-10(17)8-5-4-6-19-14(8)22-12/h4-7H,1-3H3,(H,19,22)(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q28S4TVP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM473666 (1-tert-Butyl-3-{1H-pyrrolo[2,3-b]pyridin-2- yl}-1H...) Show SMILES CC(C)(C)n1nc(-c2cc3cccnc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H17N7/c1-16(2,3)23-15-11(13(17)19-8-20-15)12(22-23)10-7-9-5-4-6-18-14(9)21-10/h4-8H,1-3H3,(H,18,21)(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q28S4TVP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM473667 (1-tert-Butyl-3-{3-chloro-1H-pyrrolo[2,3- b]pyridin...) Show SMILES CC(C)(C)n1nc(-c2[nH]c3ncccc3c2Cl)c2c(N)ncnc12 Show InChI InChI=1S/C16H16ClN7/c1-16(2,3)24-15-9(13(18)20-7-21-15)11(23-24)12-10(17)8-5-4-6-19-14(8)22-12/h4-7H,1-3H3,(H,19,22)(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description RET and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed ...				US Patent US10844067 (2020) BindingDB Entry DOI: 10.7270/Q2HQ4308
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM557389 (US11352361, Example 39 | US11680068, Example 39) Show SMILES CC(C)n1nc(-c2ccc3cc([nH]c3c2)C(=O)Nc2nncs2)c2c(N)ncnc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.709	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed in 384-well w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2MC9
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM557389 (US11352361, Example 39 | US11680068, Example 39) Show SMILES CC(C)n1nc(-c2ccc3cc([nH]c3c2)C(=O)Nc2nncs2)c2c(N)ncnc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.709	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21Z48H4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM602904 (1-(4-(8-amino-3-ethyl-5-(4-(methylamino)cyclohex-1...) Show SMILES CCc1nc(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2F)c2c(N)ncc(C3=CCC(CC3)NC)n12 |t:31| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20G3Q3M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM602903 (1-(4-(8-amino-3-isopropyl-5-(4-(methylamino)cycloh...) Show SMILES CNC1CCC(=CC1)c1cnc(N)c2c(nc(C(C)C)n12)-c1ccc(NC(=O)Nc2ccc3OCCOc3c2)cc1F |c:5| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20G3Q3M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM602927 (1-(4-(8-amino-3-isopropyl-5-(4-(methylamino)cycloh...) Show SMILES CNC1CCC(=CC1)c1cnc(N)c2c(nc(C(C)C)n12)-c1ccc(NC(=O)Nc2cncc(F)c2)cc1F |c:5| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20G3Q3M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM602907 (1-(4-(8-amino-3-isopropyl-5-(4-(methylamino)cycloh...) Show SMILES CNC1CCC(=CC1)c1cnc(N)c2c(nc(C(C)C)n12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1F |c:5| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20G3Q3M
					More data for this Ligand-Target Pair

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