BindingDB PrimarySearch

Found 2754 hits with Last Name = 'baker' and Initial = 'r'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Caspase-1 (Homo sapiens (Human))	BDBM50289410 (CHEMBL26544 \| Peptidic phenyl ketoether analogue) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289397 (3-[(1-{3-Methyl-2-[(naphthalene-2-carbonyl)-amino]...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289398 (CHEMBL553107 \| Peptidic phenyl ketoether analogue) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241235 (US10479788, Example 77 \| US11046688, Example 77 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288303 ((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...) Show SMILES CCC(C)[C@H](N)C(=O)N1CSC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM85093 (CAS_3853 \| CHEMBL267014 \| CHEMBL555670 \| L 745,870...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D4 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241226 (US10479788, Example 68 \| US11046688, Example 68 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288308 ((R)-3-(2-Amino-2-cyclopentyl-acetyl)-thiazolidine-...) Show SMILES NC(C1CCCC1)C(=O)N1CSC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050465 (3-[4-(4-Iodo-phenyl)-piperazin-1-ylmethyl]-1H-pyrr...) Show SMILES Ic1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D4 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288307 ((R)-3-(2-Amino-2-cyclohexyl-acetyl)-thiazolidine-4...) Show SMILES NC(C1CCCCC1)C(=O)N1CSC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059233 (4-(1-Benzyl-piperidin-4-yl)-6-(4-chloro-phenyl)-py...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289405 (CHEMBL2371932 \| Peptidic phenyl ketoether analogue) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro test for inhibitory activity against human dipeptidyl peptidase IV.				Bioorg Med Chem Lett 6: 1163-1166 (1996) Article DOI: 10.1016/0960-894X(96)00190-4 BindingDB Entry DOI: 10.7270/Q279455Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50173945 (CHEMBL195190 \| [2,2']Bithiophenyl-5-carboxylic aci...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine				Bioorg Med Chem Lett 15: 4727-30 (2005) Article DOI: 10.1016/j.bmcl.2005.07.070 BindingDB Entry DOI: 10.7270/Q28K79W0
Eli Lilly and Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050474 (4-[5-(4-Chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050474 (4-[5-(4-Chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D4 expressed in HEK-293 cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241213 (US10479788, Example 55 \| US11046688, Example 55 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-1 (Homo sapiens (Human))	BDBM50084633 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50173953 (CHEMBL364069 \| N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine				Bioorg Med Chem Lett 15: 4727-30 (2005) Article DOI: 10.1016/j.bmcl.2005.07.070 BindingDB Entry DOI: 10.7270/Q28K79W0
Eli Lilly and Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50106269 ((2-{2-[3-(3-Methoxy-benzyl)-[1,2,4]oxadiazol-5-yl]...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.				J Med Chem 44: 3881-95 (2001) BindingDB Entry DOI: 10.7270/Q2T72GRW
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro test for inhibitory activity against human dipeptidyl peptidase IV.				Bioorg Med Chem Lett 6: 1163-1166 (1996) Article DOI: 10.1016/0960-894X(96)00190-4 BindingDB Entry DOI: 10.7270/Q279455Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D2 expressed in CHO cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289402 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D2 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289412 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059230 (1-Benzyl-4-[5-(4-chloro-phenyl)-4-ethyl-1H-pyrazol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50106249 (CHEMBL92139 \| [2-(1-Benzenesulfonyl-1H-indol-4-yl)...) Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.				J Med Chem 44: 3881-95 (2001) BindingDB Entry DOI: 10.7270/Q2T72GRW
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059228 (1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050462 (3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-in...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D4 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288298 ((S)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...) Show SMILES CCC(C)[C@H](N)C(=O)N1CCS[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50173956 (CHEMBL370535 \| N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine				Bioorg Med Chem Lett 15: 4727-30 (2005) Article DOI: 10.1016/j.bmcl.2005.07.070 BindingDB Entry DOI: 10.7270/Q28K79W0
Eli Lilly and Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289393 ((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091577 ((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D3 expressed in CHO cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D3 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289407 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro test for inhibitory activity against human dipeptidyl peptidase IV.				Bioorg Med Chem Lett 6: 1163-1166 (1996) Article DOI: 10.1016/0960-894X(96)00190-4 BindingDB Entry DOI: 10.7270/Q279455Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288299 ((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-pyrrolidine...) Show SMILES CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50289388 ((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50213844 (CHEMBL3350819) Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA				Bioorg Med Chem Lett 6: 1163-1166 (1996) Article DOI: 10.1016/0960-894X(96)00190-4 BindingDB Entry DOI: 10.7270/Q279455Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D4 expressed in HEK-293 cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34141 (CHEMBL76237 \| MS-245) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.				J Med Chem 44: 3881-95 (2001) BindingDB Entry DOI: 10.7270/Q2T72GRW
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D4 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50106251 (2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethylamine \| C...) Show SMILES NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.				J Med Chem 44: 3881-95 (2001) BindingDB Entry DOI: 10.7270/Q2T72GRW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050467 (1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D2 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050471 (4-[3-(4-Chloro-phenyl)-4-methyl-isoxazol-5-yl]-1-p...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D4 expressed in HEK-293 cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair

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