Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50014434   

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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576175 (CHEMBL4859941) Show SMILES CCn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576173 (CHEMBL4848032) Show SMILES Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576172 (CHEMBL4848486) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)[nH]c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576174 (CHEMBL4857649) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576177 (CHEMBL4875327) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576176 (CHEMBL4874157) Show SMILES Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ncccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548647 (CHEMBL4746351) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576183 (CHEMBL4871223) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C1=O)cc(Cl)c1[nH]cc(C#N)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576182 (CHEMBL4874451) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]cc(C#N)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576185 (CHEMBL4873378) Show SMILES FC(F)(F)CN1Cc2c3c(NC(=O)C3(F)F)c(Cl)cc2C[C@@H](CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576178 (CHEMBL4873084) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)oc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576186 (CHEMBL4849710) Show SMILES FC(F)(F)CN1Cc2c3c(NC(=O)C3(F)F)c(Cl)cc2C[C@@H](CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576179 (CHEMBL4846749) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]cnc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576184 (CHEMBL4877386) Show SMILES NC(=O)c1c[nH]c2c(Cl)cc3C[C@@H](CC(=O)N4CCC(CC4)n4c5cccnc5[nH]c4=O)C(=O)N(CC(F)(F)F)Cc3c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576180 (CHEMBL4853137) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]nnc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576181 (CHEMBL4874351) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ccc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576173 (CHEMBL4848032) Show SMILES Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576175 (CHEMBL4859941) Show SMILES CCn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576174 (CHEMBL4857649) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50548647 (CHEMBL4746351) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured after 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50576173 (CHEMBL4848032) Show SMILES Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured after 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50576174 (CHEMBL4857649) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured after 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50576186 (CHEMBL4849710) Show SMILES FC(F)(F)CN1Cc2c3c(NC(=O)C3(F)F)c(Cl)cc2C[C@@H](CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured after 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair